4-chloranyl-2-(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)sulfanyl-benzoic acid

Systemtic Name: 4-chloranyl-2-(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)sulfanyl-benzoic acid Openeye Name: 4-chloro-2-(3-hydroxy-3-oxo-1-phenyl-propyl)sulfanyl-benzoic acid CAS Name: 4-chloro-2-[(3-hydroxy-3-oxo-1-phenylpropyl)thio]benzoic acid IUPAC Name: 4-chloro-2-(3-hydroxy-3-oxo-1-phenylpropyl)sulfanylbenzoic acid Traditional Name: 4-chloro-2-[(3-hydroxy-3-keto-1-phenyl-propyl)thio]benzoic acid Formula: C16H13ClO4S MolecularWeight: 336.79002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)SC2=C(C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)SC2=C(C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C16H13ClO4S/c17-11-6-7-12(16(20)21)14(8-11)22-13(9-15(18)19)10-4-2-1-3-5-10/h1-8,13H,9H2,(H,18,19)(H,20,21)