3-ethanoylsulfanyl-4-[4-(2-methylpropyl)phenyl]butanoic acid

Systemtic Name: 3-ethanoylsulfanyl-4-[4-(2-methylpropyl)phenyl]butanoic acid Openeye Name: 3-acetylsulfanyl-4-(4-isobutylphenyl)butanoic acid CAS Name: 3-(acetylthio)-4-[4-(2-methylpropyl)phenyl]butanoic acid IUPAC Name: 3-acetylsulfanyl-4-[4-(2-methylpropyl)phenyl]butanoic acid Traditional Name: 3-(acetylthio)-4-(4-isobutylphenyl)butyric acid Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CC(CC(=O)O)SC(=O)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CC(CC(=O)O)SC(=O)C

InChI

InChI=1S/C16H22O3S/c1-11(2)8-13-4-6-14(7-5-13)9-15(10-16(18)19)20-12(3)17/h4-7,11,15H,8-10H2,1-3H3,(H,18,19)