2-(4-azanyl-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl)sulfanylbenzoic acid

Systemtic Name: 2-(4-azanyl-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl)sulfanylbenzoic acid Openeye Name: 2-(4-amino-5-oxo-cyclohepta-1,3,6-trien-1-yl)sulfanylbenzoic acid CAS Name: 2-[(4-amino-5-oxo-1-cyclohepta-1,3,6-trienyl)thio]benzoic acid IUPAC Name: 2-(4-amino-5-oxocyclohepta-1,3,6-trien-1-yl)sulfanylbenzoic acid Traditional Name: 2-[(4-amino-5-keto-cyclohepta-1,3,6-trien-1-yl)thio]benzoic acid Formula: C14H11NO3S MolecularWeight: 273.30704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC2=CC=C(C(=O)C=C2)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC2=CC=C(C(=O)C=C2)N

InChI

InChI=1S/C14H11NO3S/c15-11-7-5-9(6-8-12(11)16)19-13-4-2-1-3-10(13)14(17)18/h1-8H,(H2,15,16)(H,17,18)