2-(2-ethylsulfanyl-3-phenyl-propyl)pentanedioic acid

Systemtic Name: 2-(2-ethylsulfanyl-3-phenyl-propyl)pentanedioic acid Openeye Name: 2-(2-ethylsulfanyl-3-phenyl-propyl)pentanedioic acid CAS Name: 2-[2-(ethylthio)-3-phenylpropyl]pentanedioic acid IUPAC Name: 2-(2-ethylsulfanyl-3-phenylpropyl)pentanedioic acid Traditional Name: 2-[2-(ethylthio)-3-phenyl-propyl]glutaric acid Formula: C16H22O4S MolecularWeight: 310.40848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC1=CC=CC=C1)CC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCSC(CC1=CC=CC=C1)CC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C16H22O4S/c1-2-21-14(10-12-6-4-3-5-7-12)11-13(16(19)20)8-9-15(17)18/h3-7,13-14H,2,8-11H2,1H3,(H,17,18)(H,19,20)