5-chloranyl-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-benzoic acid

Systemtic Name: 5-chloranyl-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-benzoic acid Openeye Name: 5-chloro-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-benzoic acid CAS Name: 5-chloro-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 5-chloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 5-chloro-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]benzoic acid Formula: C16H13ClO4S MolecularWeight: 336.79002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=C(C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=C(C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H13ClO4S/c1-21-12-5-2-10(3-6-12)14(18)9-22-15-7-4-11(17)8-13(15)16(19)20/h2-8H,9H2,1H3,(H,19,20)