5-oxidanyl-6-phenylsulfanyl-henicosanoic acid

Systemtic Name: 5-oxidanyl-6-phenylsulfanyl-henicosanoic acid Openeye Name: 5-hydroxy-6-phenylsulfanyl-henicosanoic acid CAS Name: 5-hydroxy-6-(phenylthio)heneicosanoic acid IUPAC Name: 5-hydroxy-6-phenylsulfanylhenicosanoic acid Traditional Name: 5-hydroxy-6-(phenylthio)heneicosanoic acid Formula: C27H46O3S MolecularWeight: 450.71734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-26(25(28)21-18-23-27(29)30)31-24-19-15-14-16-20-24/h14-16,19-20,25-26,28H,2-13,17-18,21-23H2,1H3,(H,29,30)