4-(4-cyclohexylphenyl)-3-ethanoylsulfanyl-butanoic acid

Systemtic Name: 4-(4-cyclohexylphenyl)-3-ethanoylsulfanyl-butanoic acid Openeye Name: 3-acetylsulfanyl-4-(4-cyclohexylphenyl)butanoic acid CAS Name: 3-(acetylthio)-4-(4-cyclohexylphenyl)butanoic acid IUPAC Name: 3-acetylsulfanyl-4-(4-cyclohexylphenyl)butanoic acid Traditional Name: 3-(acetylthio)-4-(4-cyclohexylphenyl)butyric acid Formula: C18H24O3S MolecularWeight: 320.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=C(C=C1)C2CCCCC2)CC(=O)O

Isomeric SMILES

CC(=O)SC(CC1=CC=C(C=C1)C2CCCCC2)CC(=O)O

InChI

InChI=1S/C18H24O3S/c1-13(19)22-17(12-18(20)21)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-12H2,1H3,(H,20,21)