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

Systemtic Name: 3-dodecyl-2-[(3-oxidanidyl-3-oxidanylidene-propyl)sulfanylmethyl]icosanoate Openeye Name: 3-dodecyl-2-[(3-oxido-3-oxo-propyl)sulfanylmethyl]icosanoate CAS Name: 3-dodecyl-2-[[(3-oxido-3-oxopropyl)thio]methyl]eicosanoate IUPAC Name: 3-dodecyl-2-[(3-oxido-3-oxopropyl)sulfanylmethyl]icosanoate Traditional Name: 2-[[(3-keto-3-oxido-propyl)thio]methyl]-3-lauryl-arachidate Formula: C36H68O4S-2 MolecularWeight: 596.98772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H70O4S/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-33(34(36(39)40)32-41-31-30-35(37)38)28-26-24-22-20-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3,(H,37,38)(H,39,40)/p-2