4-(hydroxymethyl)-8-phenyl-7-sulfanyl-octanoic acid

Systemtic Name: 4-(hydroxymethyl)-8-phenyl-7-sulfanyl-octanoic acid Openeye Name: 4-(hydroxymethyl)-8-phenyl-7-sulfanyl-octanoic acid CAS Name: 4-(hydroxymethyl)-7-mercapto-8-phenyloctanoic acid IUPAC Name: 4-(hydroxymethyl)-8-phenyl-7-sulfanyloctanoic acid Traditional Name: 7-mercapto-4-methylol-8-phenyl-caprylic acid Formula: C15H22O3S MolecularWeight: 282.39838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CCC(CCC(=O)O)CO)S

Isomeric SMILES

C1=CC=C(C=C1)CC(CCC(CCC(=O)O)CO)S

InChI

InChI=1S/C15H22O3S/c16-11-13(7-9-15(17)18)6-8-14(19)10-12-4-2-1-3-5-12/h1-5,13-14,16,19H,6-11H2,(H,17,18)