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

Systemtic Name: 4-(3-chloranyl-4-cyclohexyl-phenyl)-3-ethanoylsulfanyl-butanoic acid Openeye Name: 3-acetylsulfanyl-4-(3-chloro-4-cyclohexyl-phenyl)butanoic acid CAS Name: 3-(acetylthio)-4-(3-chloro-4-cyclohexylphenyl)butanoic acid IUPAC Name: 3-acetylsulfanyl-4-(3-chloro-4-cyclohexylphenyl)butanoic acid Traditional Name: 3-(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(CC1=CC(=C(C=C1)C2CCCCC2)Cl)CC(=O)O

Isomeric SMILES

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

InChI

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