5-oxidanyl-6-phenylsulfanyl-octadecanoic acid

Systemtic Name: 5-oxidanyl-6-phenylsulfanyl-octadecanoic acid Openeye Name: 5-hydroxy-6-phenylsulfanyl-octadecanoic acid CAS Name: 5-hydroxy-6-(phenylthio)octadecanoic acid IUPAC Name: 5-hydroxy-6-phenylsulfanyloctadecanoic acid Traditional Name: 5-hydroxy-6-(phenylthio)stearic acid Formula: C24H40O3S MolecularWeight: 408.6376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40O3S/c1-2-3-4-5-6-7-8-9-10-14-19-23(22(25)18-15-20-24(26)27)28-21-16-12-11-13-17-21/h11-13,16-17,22-23,25H,2-10,14-15,18-20H2,1H3,(H,26,27)