5-oxidanyl-6-phenylsulfanyl-heptadecanoic acid

Systemtic Name: 5-oxidanyl-6-phenylsulfanyl-heptadecanoic acid Openeye Name: 5-hydroxy-6-phenylsulfanyl-heptadecanoic acid CAS Name: 5-hydroxy-6-(phenylthio)heptadecanoic acid IUPAC Name: 5-hydroxy-6-phenylsulfanylheptadecanoic acid Traditional Name: 5-hydroxy-6-(phenylthio)heptadecanoic acid Formula: C23H38O3S MolecularWeight: 394.61102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38O3S/c1-2-3-4-5-6-7-8-9-13-18-22(21(24)17-14-19-23(25)26)27-20-15-11-10-12-16-20/h10-12,15-16,21-22,24H,2-9,13-14,17-19H2,1H3,(H,25,26)