2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methoxy-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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