4-(4-butylphenyl)-2-(carboxymethylsulfanyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-butylphenyl)-2-(carboxymethylsulfanyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-butylphenyl)-2-(carboxymethylsulfanyl)-4-oxo-butanoic acid CAS Name: 4-(4-butylphenyl)-2-(carboxymethylthio)-4-oxobutanoic acid IUPAC Name: 4-(4-butylphenyl)-2-(carboxymethylsulfanyl)-4-oxobutanoic acid Traditional Name: 4-(4-butylphenyl)-2-(carboxymethylthio)-4-keto-butyric acid Formula: C16H20O5S MolecularWeight: 324.392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CC(C(=O)O)SCC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CC(C(=O)O)SCC(=O)O

InChI

InChI=1S/C16H20O5S/c1-2-3-4-11-5-7-12(8-6-11)13(17)9-14(16(20)21)22-10-15(18)19/h5-8,14H,2-4,9-10H2,1H3,(H,18,19)(H,20,21)