5-oxidanyl-6-phenylsulfanyl-hexadecanoic acid

Systemtic Name: 5-oxidanyl-6-phenylsulfanyl-hexadecanoic acid Openeye Name: 5-hydroxy-6-phenylsulfanyl-hexadecanoic acid CAS Name: 5-hydroxy-6-(phenylthio)hexadecanoic acid IUPAC Name: 5-hydroxy-6-phenylsulfanylhexadecanoic acid Traditional Name: 5-hydroxy-6-(phenylthio)palmitic acid Formula: C22H36O3S MolecularWeight: 380.58444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36O3S/c1-2-3-4-5-6-7-8-12-17-21(20(23)16-13-18-22(24)25)26-19-14-10-9-11-15-19/h9-11,14-15,20-21,23H,2-8,12-13,16-18H2,1H3,(H,24,25)