2-(2-phenylsulfanyl-5-propanoyl-phenyl)ethanoic acid

Systemtic Name: 2-(2-phenylsulfanyl-5-propanoyl-phenyl)ethanoic acid Openeye Name: 2-(2-phenylsulfanyl-5-propanoyl-phenyl)acetic acid CAS Name: 2-[5-(1-oxopropyl)-2-(phenylthio)phenyl]acetic acid IUPAC Name: 2-(2-phenylsulfanyl-5-propanoylphenyl)acetic acid Traditional Name: 2-[2-(phenylthio)-5-propionyl-phenyl]acetic acid Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O3S/c1-2-15(18)12-8-9-16(13(10-12)11-17(19)20)21-14-6-4-3-5-7-14/h3-10H,2,11H2,1H3,(H,19,20)