5-oxidanyl-6-phenylsulfanyl-nonadecanoic acid

Systemtic Name: 5-oxidanyl-6-phenylsulfanyl-nonadecanoic acid Openeye Name: 5-hydroxy-6-phenylsulfanyl-nonadecanoic acid CAS Name: 5-hydroxy-6-(phenylthio)nonadecanoic acid IUPAC Name: 5-hydroxy-6-phenylsulfanylnonadecanoic acid Traditional Name: 5-hydroxy-6-(phenylthio)nonadecanoic acid Formula: C25H42O3S MolecularWeight: 422.66418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42O3S/c1-2-3-4-5-6-7-8-9-10-11-15-20-24(23(26)19-16-21-25(27)28)29-22-17-13-12-14-18-22/h12-14,17-18,23-24,26H,2-11,15-16,19-21H2,1H3,(H,27,28)