2-docosyl-2-[(3-oxidanidyl-3-oxidanylidene-propyl)sulfanylmethyl]tetracosanoate

Systemtic Name: 2-docosyl-2-[(3-oxidanidyl-3-oxidanylidene-propyl)sulfanylmethyl]tetracosanoate Openeye Name: 2-docosyl-2-[(3-oxido-3-oxo-propyl)sulfanylmethyl]tetracosanoate CAS Name: 2-docosyl-2-[[(3-oxido-3-oxopropyl)thio]methyl]tetracosanoate IUPAC Name: 2-docosyl-2-[(3-oxido-3-oxopropyl)sulfanylmethyl]tetracosanoate Traditional Name: 2-behenyl-2-[[(3-keto-3-oxido-propyl)thio]methyl]lignocerate Formula: C50H96O4S-2 MolecularWeight: 793.35984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H98O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-44-50(49(53)54,47-55-46-43-48(51)52)45-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-47H2,1-2H3,(H,51,52)(H,53,54)/p-2