4-(2-cyclohexylsulfanylphenyl)-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-(2-cyclohexylsulfanylphenyl)-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-(2-cyclohexylsulfanylphenyl)-2,4-dioxo-butanoic acid CAS Name: 4-[2-(cyclohexylthio)phenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-(2-cyclohexylsulfanylphenyl)-2,4-dioxobutanoic acid Traditional Name: 4-[2-(cyclohexylthio)phenyl]-2,4-diketo-butyric acid Formula: C16H18O4S MolecularWeight: 306.37672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=CC=CC=C2C(=O)CC(=O)C(=O)O

Isomeric SMILES

C1CCC(CC1)SC2=CC=CC=C2C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C16H18O4S/c17-13(10-14(18)16(19)20)12-8-4-5-9-15(12)21-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,19,20)