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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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