5-oxidanyl-6-phenylsulfanyl-docosanoic acid

Systemtic Name: 5-oxidanyl-6-phenylsulfanyl-docosanoic acid Openeye Name: 5-hydroxy-6-phenylsulfanyl-docosanoic acid CAS Name: 5-hydroxy-6-(phenylthio)docosanoic acid IUPAC Name: 5-hydroxy-6-phenylsulfanyldocosanoic acid Traditional Name: 5-hydroxy-6-(phenylthio)behenic acid Formula: C28H48O3S MolecularWeight: 464.74392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H48O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-27(26(29)22-19-24-28(30)31)32-25-20-16-15-17-21-25/h15-17,20-21,26-27,29H,2-14,18-19,22-24H2,1H3,(H,30,31)