5-oxidanyl-6-phenylsulfanyl-tricosanoic acid

Systemtic Name: 5-oxidanyl-6-phenylsulfanyl-tricosanoic acid Openeye Name: 5-hydroxy-6-phenylsulfanyl-tricosanoic acid CAS Name: 5-hydroxy-6-(phenylthio)tricosanoic acid IUPAC Name: 5-hydroxy-6-phenylsulfanyltricosanoic acid Traditional Name: 5-hydroxy-6-(phenylthio)tricosanoic acid Formula: C29H50O3S MolecularWeight: 478.7705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H50O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-28(27(30)23-20-25-29(31)32)33-26-21-17-16-18-22-26/h16-18,21-22,27-28,30H,2-15,19-20,23-25H2,1H3,(H,31,32)