7-phenyl-2-sulfanyl-heptanoic acid

Systemtic Name: 7-phenyl-2-sulfanyl-heptanoic acid Openeye Name: 7-phenyl-2-sulfanyl-heptanoic acid CAS Name: 2-mercapto-7-phenylheptanoic acid IUPAC Name: 7-phenyl-2-sulfanylheptanoic acid Traditional Name: 2-mercapto-7-phenyl-enanthic acid Formula: C13H18O2S MolecularWeight: 238.34582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2S/c14-13(15)12(16)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,12,16H,2,5-6,9-10H2,(H,14,15)