2-methyl-2-(2-methyl-1-oxidanyl-1-oxidanylidene-docosan-2-yl)sulfanyl-docosanoic acid

Systemtic Name: 2-methyl-2-(2-methyl-1-oxidanyl-1-oxidanylidene-docosan-2-yl)sulfanyl-docosanoic acid Openeye Name: 2-(1-carboxy-1-methyl-henicosyl)sulfanyl-2-methyl-docosanoic acid CAS Name: 2-[(1-hydroxy-2-methyl-1-oxodocosan-2-yl)thio]-2-methyldocosanoic acid IUPAC Name: 2-(1-hydroxy-2-methyl-1-oxodocosan-2-yl)sulfanyl-2-methyldocosanoic acid Traditional Name: 2-[(1-carboxy-1-methyl-heneicosyl)thio]-2-methyl-behenic acid Formula: C46H90O4S MolecularWeight: 739.2694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C)(C(=O)O)SC(C)(CCCCCCCCCCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(C)(C(=O)O)SC(C)(CCCCCCCCCCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C46H90O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45(3,43(47)48)51-46(4,44(49)50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-42H2,1-4H3,(H,47,48)(H,49,50)