4-[3-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-butyl]benzoic acid

Systemtic Name: 4-[3-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-butyl]benzoic acid Openeye Name: 4-[3-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-butyl]benzoic acid CAS Name: 4-[3-[(4-methoxyphenyl)methylthio]-4-oxobutyl]benzoic acid IUPAC Name: 4-[3-[(4-methoxyphenyl)methylsulfanyl]-4-oxobutyl]benzoic acid Traditional Name: 4-[4-keto-3-(p-anisylthio)butyl]benzoic acid Formula: C19H20O4S MolecularWeight: 344.4247

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC(CCC2=CC=C(C=C2)C(=O)O)C=O

Isomeric SMILES

COC1=CC=C(C=C1)CSC(CCC2=CC=C(C=C2)C(=O)O)C=O

InChI

InChI=1S/C19H20O4S/c1-23-17-9-4-15(5-10-17)13-24-18(12-20)11-6-14-2-7-16(8-3-14)19(21)22/h2-5,7-10,12,18H,6,11,13H2,1H3,(H,21,22)