3-cyano-5-(hydroxymethyl)-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-cyano-5-(hydroxymethyl)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-cyano-5-(hydroxymethyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-cyano-5-(hydroxymethyl)-2,4,6-triiodobenzoic acid IUPAC Name: 3-cyano-5-(hydroxymethyl)-2,4,6-triiodobenzoic acid Traditional Name: 3-cyano-2,4,6-triiodo-5-methylol-benzoic acid Formula: C9H4I3NO3 MolecularWeight: 554.84637

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Descriptors Computed from Structure

Canonical SMILES:

C(C1=C(C(=C(C(=C1I)C(=O)O)I)C#N)I)O

Isomeric SMILES

C(C1=C(C(=C(C(=C1I)C(=O)O)I)C#N)I)O

InChI

InChI=1S/C9H4I3NO3/c10-6-3(1-13)7(11)5(9(15)16)8(12)4(6)2-14/h14H,2H2,(H,15,16)