5-oxidanyl-6-phenylsulfanyl-tetracosanoic acid

Systemtic Name: 5-oxidanyl-6-phenylsulfanyl-tetracosanoic acid Openeye Name: 5-hydroxy-6-phenylsulfanyl-tetracosanoic acid CAS Name: 5-hydroxy-6-(phenylthio)tetracosanoic acid IUPAC Name: 5-hydroxy-6-phenylsulfanyltetracosanoic acid Traditional Name: 5-hydroxy-6-(phenylthio)lignoceric acid Formula: C30H52O3S MolecularWeight: 492.79708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H52O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-29(28(31)24-21-26-30(32)33)34-27-22-18-17-19-23-27/h17-19,22-23,28-29,31H,2-16,20-21,24-26H2,1H3,(H,32,33)