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

Systemtic Name: 2-(4-methoxy-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl)sulfanylbenzoic acid Openeye Name: 2-(4-methoxy-5-oxo-cyclohepta-1,3,6-trien-1-yl)sulfanylbenzoic acid CAS Name: 2-[(4-methoxy-5-oxo-1-cyclohepta-1,3,6-trienyl)thio]benzoic acid IUPAC Name: 2-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)sulfanylbenzoic acid Traditional Name: 2-[(5-keto-4-methoxy-cyclohepta-1,3,6-trien-1-yl)thio]benzoic acid Formula: C15H12O4S MolecularWeight: 288.31838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=CC1=O)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

COC1=CC=C(C=CC1=O)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H12O4S/c1-19-13-9-7-10(6-8-12(13)16)20-14-5-3-2-4-11(14)15(17)18/h2-9H,1H3,(H,17,18)