2-[4-(1-ethanoylsulfanyl-2-oxidanyl-2-oxidanylidene-ethyl)phenyl]benzoic acid

Systemtic Name: 2-[4-(1-ethanoylsulfanyl-2-oxidanyl-2-oxidanylidene-ethyl)phenyl]benzoic acid Openeye Name: 2-[4-(1-acetylsulfanyl-2-hydroxy-2-oxo-ethyl)phenyl]benzoic acid CAS Name: 2-[4-[1-(acetylthio)-2-hydroxy-2-oxoethyl]phenyl]benzoic acid IUPAC Name: 2-[4-(1-acetylsulfanyl-2-hydroxy-2-oxoethyl)phenyl]benzoic acid Traditional Name: 2-[4-[1-(acetylthio)-2-hydroxy-2-keto-ethyl]phenyl]benzoic acid Formula: C17H14O5S MolecularWeight: 330.35506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)SC(C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C17H14O5S/c1-10(18)23-15(17(21)22)12-8-6-11(7-9-12)13-4-2-3-5-14(13)16(19)20/h2-9,15H,1H3,(H,19,20)(H,21,22)