2-(3-chloranyl-4-cyclohexyl-2-sulfanyl-phenyl)-3-oxidanylidene-butanoic acid

Systemtic Name: 2-(3-chloranyl-4-cyclohexyl-2-sulfanyl-phenyl)-3-oxidanylidene-butanoic acid Openeye Name: 2-(3-chloro-4-cyclohexyl-2-sulfanyl-phenyl)-3-oxo-butanoic acid CAS Name: 2-(3-chloro-4-cyclohexyl-2-mercaptophenyl)-3-oxobutanoic acid IUPAC Name: 2-(3-chloro-4-cyclohexyl-2-sulfanylphenyl)-3-oxobutanoic acid Traditional Name: 2-(3-chloro-4-cyclohexyl-2-mercapto-phenyl)-3-keto-butyric acid Formula: C16H19ClO3S MolecularWeight: 326.83826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=C(C(=C(C=C1)C2CCCCC2)Cl)S)C(=O)O

Isomeric SMILES

CC(=O)C(C1=C(C(=C(C=C1)C2CCCCC2)Cl)S)C(=O)O

InChI

InChI=1S/C16H19ClO3S/c1-9(18)13(16(19)20)12-8-7-11(14(17)15(12)21)10-5-3-2-4-6-10/h7-8,10,13,21H,2-6H2,1H3,(H,19,20)