5-oxidanyl-6-phenylsulfanyl-hexacosanoic acid

Systemtic Name: 5-oxidanyl-6-phenylsulfanyl-hexacosanoic acid Openeye Name: 5-hydroxy-6-phenylsulfanyl-hexacosanoic acid CAS Name: 5-hydroxy-6-(phenylthio)hexacosanoic acid IUPAC Name: 5-hydroxy-6-phenylsulfanylhexacosanoic acid Traditional Name: 5-hydroxy-6-(phenylthio)cerotic acid Formula: C32H56O3S MolecularWeight: 520.85024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H56O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-31(30(33)26-23-28-32(34)35)36-29-24-20-19-21-25-29/h19-21,24-25,30-31,33H,2-18,22-23,26-28H2,1H3,(H,34,35)