2-methyl-2-(2-methyl-1-oxidanidyl-1-oxidanylidene-docosan-2-yl)sulfanyl-docosanoate

Systemtic Name: 2-methyl-2-(2-methyl-1-oxidanidyl-1-oxidanylidene-docosan-2-yl)sulfanyl-docosanoate Openeye Name: 2-(1-carboxylato-1-methyl-henicosyl)sulfanyl-2-methyl-docosanoate CAS Name: 2-methyl-2-[(2-methyl-1-oxido-1-oxodocosan-2-yl)thio]docosanoate IUPAC Name: 2-methyl-2-(2-methyl-1-oxido-1-oxodocosan-2-yl)sulfanyldocosanoate Traditional Name: 2-[(1-carboxylato-1-methyl-heneicosyl)thio]-2-methyl-behenate Formula: C46H88O4S-2 MolecularWeight: 737.25352

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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)/p-2