MolTalk

Validate SMILES; return identifiers, properties, CIP R/S, bond stereo, stereo_summary and SMARTS motifs. Indices are zero-based in the input molecule. Does not draw.

Viewer-only: one calculated 3D conformer aligned to the flat drawing, used to rotate the drawing in 3D.

Draw and render a molecule inline for the user from SMILES, in a single call. A successful result (rendered: true) means the drawing is already displayed to the user: do not call draw_molecule again with the same arguments to verify, inspect, retrieve or display it; read structuredContent instead. For a compound name, use draw_named_molecule. Returns the full analysis and depicted_stereo_bonds (this drawing's wedges/dashes, each with an explanation). label: display caption, e.g. the compound name. numbering (default "none": a clean drawing; the user can switch numbers on in the viewer): "iupac" (parent-chain/ring locants from the verified IUPAC name, when they can be determined without ambiguity; otherwise atom indices), "indices" or "none". Ask for numbers only when the discussion needs them. hydrogens=true draws every hydrogen explicitly. include_svg=true also returns the raw SVG text (only for clients without the inline viewer).

Use this when the user asks to draw a molecule by name ("draw cubane", "show me FAD"): it resolves the name and renders the drawing inline in one call. Do not call resolve_name first, and do not call draw_molecule afterwards unless the user asks for a modified structure. A successful result (rendered: true) is already displayed; never call again to verify it. Resolution is the same as resolve_name (MolTalk's library, then OPSIN for systematic names, then PubChem only if allow_network=true); an ambiguous or unknown name, or one that does not say which stereoisomer, is an error and nothing is drawn. numbering and hydrogens are as in draw_molecule.

Enumerate unspecified stereochemistry (specified elements are preserved): R/S, E/Z, the twist of hindered biaryl and C–N axes, and the configuration of allenes, helicenes and Xabab spiro atoms. Shows the isomers inline as a grid. Each isomer has CIP labels (input atom indices), stereo_units with verified descriptors, an achiral/meso flag and its enantiomer's index. Isomers that plain SMILES cannot state are given as CXSMILES (with coordinates); pass them unchanged to draw_molecule.

Write the structure as a file the user can download: format "cdxml" (ChemDraw, default), "mol", "sdf", "pdb", "xyz" or "smiles". coordinates: "2d" (the drawing's layout; default for cdxml/mol/sdf) or "3d" (one calculated conformer with explicit hydrogens; required for pdb/xyz). name: compound name for the file name and title. hydrogens=true adds explicit hydrogens to a 2D file. The file holds the structure as given (charges, stereo, atom order), not drawing-only additions. Shown inline with a Download button.

Find chirality-aware SMARTS matches; at most 100 matches.

Resolve a compound name to a structure. Tried in order: (1) MolTalk's bundled library of thousands of common compounds (trivial names, synonyms, IUPAC names; offline); (2) OPSIN, which reads systematic IUPAC names offline, including stereodescriptors; (3) PubChem, only when allow_network=true (best effort; the name is sent to PubChem). A name shared by different structures is reported as ambiguous, not guessed. A name that states stereochemistry (R/S, E/Z, axial) must resolve to a structure that encodes it, or it is rejected as unverified. Check the returned identity and stereo_summary before relying on it.