2-octadecyl-2-(1-oxidanidyl-1-oxidanylidene-propan-2-yl)sulfanyl-henicosanoate

Systemtic Name: 2-octadecyl-2-(1-oxidanidyl-1-oxidanylidene-propan-2-yl)sulfanyl-henicosanoate Openeye Name: 2-(1-methyl-2-oxido-2-oxo-ethyl)sulfanyl-2-octadecyl-henicosanoate CAS Name: 2-octadecyl-2-[(1-oxido-1-oxopropan-2-yl)thio]heneicosanoate IUPAC Name: 2-octadecyl-2-(1-oxido-1-oxopropan-2-yl)sulfanylhenicosanoate Traditional Name: 2-[(2-keto-1-methyl-2-oxido-ethyl)thio]-2-stearyl-heneicosanoate Formula: C42H80O4S-2 MolecularWeight: 681.1472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(C(=O)[O-])SC(C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(C(=O)[O-])SC(C)C(=O)[O-]

InChI

InChI=1S/C42H82O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-42(41(45)46,47-39(3)40(43)44)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h39H,4-38H2,1-3H3,(H,43,44)(H,45,46)/p-2