4-[(Z)-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-sulfanyl-methyl]benzoic acid

Systemtic Name: 4-[(Z)-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-sulfanyl-methyl]benzoic acid Openeye Name: 4-[(Z)-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-sulfanyl-methyl]benzoic acid CAS Name: 4-[(Z)-mercapto-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]benzoic acid IUPAC Name: 4-[(Z)-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-sulfanylmethyl]benzoic acid Traditional Name: 4-[(Z)-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)-mercapto-methyl]benzoic acid Formula: C15H12O3S MolecularWeight: 272.31898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=CC=C(C=C2)C(=O)O)S)C(=O)C=C1

Isomeric SMILES

CC1=C/C(=C(\C2=CC=C(C=C2)C(=O)O)/S)/C(=O)C=C1

InChI

InChI=1S/C15H12O3S/c1-9-2-7-13(16)12(8-9)14(19)10-3-5-11(6-4-10)15(17)18/h2-8,19H,1H3,(H,17,18)/b14-12-