5-oxidanyl-6-phenylsulfanyl-pentacosanoic acid

Systemtic Name: 5-oxidanyl-6-phenylsulfanyl-pentacosanoic acid Openeye Name: 5-hydroxy-6-phenylsulfanyl-pentacosanoic acid CAS Name: 5-hydroxy-6-(phenylthio)pentacosanoic acid IUPAC Name: 5-hydroxy-6-phenylsulfanylpentacosanoic acid Traditional Name: 5-hydroxy-6-(phenylthio)pentacosanoic acid Formula: C31H54O3S MolecularWeight: 506.82366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(C(CCCC(=O)O)O)SC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(C(CCCC(=O)O)O)SC1=CC=CC=C1

InChI

InChI=1S/C31H54O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-30(29(32)25-22-27-31(33)34)35-28-23-19-18-20-24-28/h18-20,23-24,29-30,32H,2-17,21-22,25-27H2,1H3,(H,33,34)