2-[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(2,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(2,4-dimethoxyphenyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(2,4-dimethoxyphenyl)-2-keto-ethyl]thio]benzoic acid Formula: C17H16O5S MolecularWeight: 332.37094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CSC2=CC=CC=C2C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CSC2=CC=CC=C2C(=O)O)OC

InChI

InChI=1S/C17H16O5S/c1-21-11-7-8-12(15(9-11)22-2)14(18)10-23-16-6-4-3-5-13(16)17(19)20/h3-9H,10H2,1-2H3,(H,19,20)