2-methyl-2-(2-methyl-1-oxidanidyl-1-oxidanylidene-tetracosan-2-yl)sulfanyl-tetracosanoate

Systemtic Name: 2-methyl-2-(2-methyl-1-oxidanidyl-1-oxidanylidene-tetracosan-2-yl)sulfanyl-tetracosanoate Openeye Name: 2-(1-carboxylato-1-methyl-tricosyl)sulfanyl-2-methyl-tetracosanoate CAS Name: 2-methyl-2-[(2-methyl-1-oxido-1-oxotetracosan-2-yl)thio]tetracosanoate IUPAC Name: 2-methyl-2-(2-methyl-1-oxido-1-oxotetracosan-2-yl)sulfanyltetracosanoate Traditional Name: 2-[(1-carboxylato-1-methyl-tricosyl)thio]-2-methyl-lignocerate Formula: C50H96O4S-2 MolecularWeight: 793.35984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(C)(C(=O)[O-])SC(C)(CCCCCCCCCCCCCCCCCCCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(C)(C(=O)[O-])SC(C)(CCCCCCCCCCCCCCCCCCCCCC)C(=O)[O-]

InChI

InChI=1S/C50H98O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-49(3,47(51)52)55-50(4,48(53)54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-46H2,1-4H3,(H,51,52)(H,53,54)/p-2