5-oxidanyl-6-phenylsulfanyl-pentadecanoic acid

Systemtic Name: 5-oxidanyl-6-phenylsulfanyl-pentadecanoic acid Openeye Name: 5-hydroxy-6-phenylsulfanyl-pentadecanoic acid CAS Name: 5-hydroxy-6-(phenylthio)pentadecanoic acid IUPAC Name: 5-hydroxy-6-phenylsulfanylpentadecanoic acid Traditional Name: 5-hydroxy-6-(phenylthio)pentadecanoic acid Formula: C21H34O3S MolecularWeight: 366.55786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O3S/c1-2-3-4-5-6-7-11-16-20(19(22)15-12-17-21(23)24)25-18-13-9-8-10-14-18/h8-10,13-14,19-20,22H,2-7,11-12,15-17H2,1H3,(H,23,24)