4-(3-chloranyl-4-cyclohexyl-phenyl)-2-ethanoylsulfanyl-butanoic acid

Systemtic Name: 4-(3-chloranyl-4-cyclohexyl-phenyl)-2-ethanoylsulfanyl-butanoic acid Openeye Name: 2-acetylsulfanyl-4-(3-chloro-4-cyclohexyl-phenyl)butanoic acid CAS Name: 2-(acetylthio)-4-(3-chloro-4-cyclohexylphenyl)butanoic acid IUPAC Name: 2-acetylsulfanyl-4-(3-chloro-4-cyclohexylphenyl)butanoic acid Traditional Name: 2-(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(CCC1=CC(=C(C=C1)C2CCCCC2)Cl)C(=O)O

Isomeric SMILES

CC(=O)SC(CCC1=CC(=C(C=C1)C2CCCCC2)Cl)C(=O)O

InChI

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