7-(3-chlorophenyl)-2-sulfanyl-heptanoic acid

Systemtic Name: 7-(3-chlorophenyl)-2-sulfanyl-heptanoic acid Openeye Name: 7-(3-chlorophenyl)-2-sulfanyl-heptanoic acid CAS Name: 7-(3-chlorophenyl)-2-mercaptoheptanoic acid IUPAC Name: 7-(3-chlorophenyl)-2-sulfanylheptanoic acid Traditional Name: 7-(3-chlorophenyl)-2-mercapto-enanthic acid Formula: C13H17ClO2S MolecularWeight: 272.79088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClO2S/c14-11-7-4-6-10(9-11)5-2-1-3-8-12(17)13(15)16/h4,6-7,9,12,17H,1-3,5,8H2,(H,15,16)