Your Chemistry.
One Workspace.
Zero Silent Failures.
Convert, validate, and visualize IUPAC names, SMILES, InChI codes, and MOL/SDF files — all in one clean platform. Stop juggling ChemDraw, PubChem, and brittle Python scripts. Get results in seconds.
Your chemistry workflow is held together by duct tape
Researchers, developers, and educators are losing hours every week context-switching between incompatible, fragile tools.
Everything your chemistry workflow
ever needed in one place
Built from ground-up research with 12 chemistry professionals across academia, industry, and software engineering. Designed as a workspace first — with a powerful API for those who need it.
Clean Visual Workspace
A dedicated chemistry workspace that replaces ChemDraw for everyday tasks. Paste or type any structure, get instant visual feedback, and export with a click — no scripting required.
Atom-Level Validation
Pinpoint valency violations, impossible stereocenters, and malformed representations with exact error codes — not "invalid input".
ERR_VALENCE_C4: Carbon atom 4 has valence 5WARN_STEREO: Ambiguous R/S at chiral center 22D/3D Structure Visualization
Instant, publication-quality PNG/SVG renders of any structure in your workspace. Export for papers, presentations, or reports — zero rendering setup needed.
High-Throughput Batch Processing
Upload a CSV or SDF of thousands of structures and process them in one go. Perfect for data cleaning, pipeline prep, and LIMS ingestion — all without writing a script.
Structure Standardization
Automated tautomer enumeration, salt stripping, stereochemistry normalization, and charge neutralization before any conversion.
Also available as an API & SDK
Every capability in the platform is exposed via a deterministic REST/GraphQL API. Drop Python or JS SDKs directly into Jupyter, LIMS, or your own pipelines. Full OpenAPI/Swagger docs included.
from chemstruct import Client
client = Client("cs_live_your_key")
result = client.convert(
input="2-methylpropan-1-ol",
from_format="iupac",
to_format="smiles",
render=True
)
# result.smiles → "CC(C)CO"
# result.image_svg → "<svg ...>"Comprehensive Exports
Export to SDF, MOL, CSV, SMILES, InChI, high-quality PNG, and publication-ready SVG. Everything you need for papers, reports, or downstream pipelines — in one click.
IP-Safe by Design
Your molecules are never stored, logged, or used for training. Zero-retention processing with SOC 2 Type II compliance and enterprise SSO.
From messy structure to clean, verified result in seconds
Paste or Upload Your Structure
Type a common name, paste a SMILES string, drop in a corrupted SDF file — ChemStruct handles real-world, imperfect inputs without complaint. No preprocessing needed.
Input: "2-methylpropan-1-ol"
Format: IUPAC Name
Convert to: SMILES + SVG renderInstant IUPAC-Rigorous Validation
The platform checks valency, stereochemistry, tautomers, and ring structures automatically — flagging exact issues with atom-level detail. No LLM guesswork involved.
Preview, Convert & Export
See a live 2D/3D render in your workspace, pick your output format, and export in one click — PNG, SVG, SDF, MOL, SMILES, InChI, all with stereochemistry intact.
See ChemStruct in action
No account needed. Enter any chemical name or string below and see exactly what ChemStruct returns — instantly.
Click "Convert Structure" to see your result
A chemistry workspace built for how scientists actually work
ChemStruct is a full-featured web platform — not a wrapper around an API. Researchers, educators, and students get a polished visual workspace. Developers get a powerful API on top of that.
Designed from real user pain
Quotes and insights from 12 researchers, educators, and developers surveyed during our discovery phase.
"Switching between 4–5 individual websites completely breaks user momentum and productivity. We need a centralized hubthat handles it all."
"Format converters often drop crucial stereochemical dataand fail silently. Without explicit error logs, these bugs end up in production."
"High-throughput REST/GraphQL APIs with robust documentation are completely absent from existing web tools. I end up writing my own microservices."
"ChemDraw is expensive, un-scriptable, and locks our data in a proprietary ecosystem. We need an open, scriptable platform that works in the browser and in our pipelines."
"Students are using ChatGPT to parse IUPAC names and then manually verifying. They need instant, trustworthy structure previewin a single tool."
"We need clear IP transparency. If I upload a novel compound, I must know exactly what happens to that moleculeon the platform's servers."
Simple pricing for every workflow
Free to start. Scale as you grow. No hidden fees, no lock-in, no proprietary ecosystems.
Perfect for students, hobbyists, and proof-of-concept exploration.
- ✓ 500 conversions/day
- ✓ All format conversions
- ✓ 2D structure rendering
- ✓ Basic validation reports
- ✗ Batch file processing
- ✗ 3D rendering
- ✗ Priority support
Ideal for researchers and independent scientists who need full functionality.
- ✓ 50,000 conversions/month
- ✓ All format conversions
- ✓ 2D & 3D structure rendering
- ✓ Full validation reports
- ✓ Batch file processing (1k/run)
- ✓ API access + Python & JS SDK
- ✗ SLA guarantee
For computational chemistry teams and corporate labs with shared workspaces.
- ✓ Unlimited conversions
- ✓ All Pro features
- ✓ Shared team workspace
- ✓ Batch processing (50k/run)
- ✓ LIMS integration support
- ✓ 99.9% uptime SLA
- ✓ Priority email support
For universities, pharmaceutical companies, and institutional deployments.
- ✓ Everything in Team
- ✓ On-premise deployment
- ✓ SSO / SAML 2.0
- ✓ SOC 2 Type II
- ✓ Dedicated infrastructure
- ✓ Custom SLA
- ✓ White-glove onboarding
Trusted by researchers at
One platform. Done.
Join researchers, educators, and developers who replaced their fragmented cheminformatics toolchain with a single, bulletproof platform.