4-(3-chloranyl-4-cyclohexyl-phenyl)-4-ethanoylsulfanyl-butanoic acid

Systemtic Name: 4-(3-chloranyl-4-cyclohexyl-phenyl)-4-ethanoylsulfanyl-butanoic acid Openeye Name: 4-acetylsulfanyl-4-(3-chloro-4-cyclohexyl-phenyl)butanoic acid CAS Name: 4-(acetylthio)-4-(3-chloro-4-cyclohexylphenyl)butanoic acid IUPAC Name: 4-acetylsulfanyl-4-(3-chloro-4-cyclohexylphenyl)butanoic acid Traditional Name: 4-(acetylthio)-4-(3-chloro-4-cyclohexyl-phenyl)butyric acid Formula: C18H23ClO3S MolecularWeight: 354.89142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClO3S/c1-12(20)23-17(9-10-18(21)22)14-7-8-15(16(19)11-14)13-5-3-2-4-6-13/h7-8,11,13,17H,2-6,9-10H2,1H3,(H,21,22)