2-octadecyl-2-[(3-oxidanidyl-3-oxidanylidene-propyl)sulfanylmethyl]icosanoate

Systemtic Name: 2-octadecyl-2-[(3-oxidanidyl-3-oxidanylidene-propyl)sulfanylmethyl]icosanoate Openeye Name: 2-octadecyl-2-[(3-oxido-3-oxo-propyl)sulfanylmethyl]icosanoate CAS Name: 2-octadecyl-2-[[(3-oxido-3-oxopropyl)thio]methyl]eicosanoate IUPAC Name: 2-octadecyl-2-[(3-oxido-3-oxopropyl)sulfanylmethyl]icosanoate Traditional Name: 2-[[(3-keto-3-oxido-propyl)thio]methyl]-2-stearyl-arachidate Formula: C42H80O4S-2 MolecularWeight: 681.1472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(CSCCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(CSCCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C42H82O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-42(41(45)46,39-47-38-35-40(43)44)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3,(H,43,44)(H,45,46)/p-2