2-cyclohexylsulfanyl-4-(4-methoxyphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-cyclohexylsulfanyl-4-(4-methoxyphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-cyclohexylsulfanyl-4-(4-methoxyphenyl)-4-oxo-butanoic acid CAS Name: 2-(cyclohexylthio)-4-(4-methoxyphenyl)-4-oxobutanoic acid IUPAC Name: 2-cyclohexylsulfanyl-4-(4-methoxyphenyl)-4-oxobutanoic acid Traditional Name: 2-(cyclohexylthio)-4-keto-4-(4-methoxyphenyl)butyric acid Formula: C17H22O4S MolecularWeight: 322.41918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC(C(=O)O)SC2CCCCC2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CC(C(=O)O)SC2CCCCC2

InChI

InChI=1S/C17H22O4S/c1-21-13-9-7-12(8-10-13)15(18)11-16(17(19)20)22-14-5-3-2-4-6-14/h7-10,14,16H,2-6,11H2,1H3,(H,19,20)