3-heptyl-2-(1-oxidanidyl-1-oxidanylidene-heptan-2-yl)sulfanyl-2-pentyl-nonadecanoate

Systemtic Name: 3-heptyl-2-(1-oxidanidyl-1-oxidanylidene-heptan-2-yl)sulfanyl-2-pentyl-nonadecanoate Openeye Name: 2-(1-carboxylatohexylsulfanyl)-3-heptyl-2-pentyl-nonadecanoate CAS Name: 3-heptyl-2-[(1-oxido-1-oxoheptan-2-yl)thio]-2-pentylnonadecanoate IUPAC Name: 3-heptyl-2-(1-oxido-1-oxoheptan-2-yl)sulfanyl-2-pentylnonadecanoate Traditional Name: 2-amyl-2-(1-carboxylatohexylthio)-3-heptyl-nonadecanoate Formula: C38H72O4S-2 MolecularWeight: 625.04088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCC)C(CCCCC)(C(=O)[O-])SC(CCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCC)C(CCCCC)(C(=O)[O-])SC(CCCCC)C(=O)[O-]

InChI

InChI=1S/C38H74O4S/c1-5-9-13-15-16-17-18-19-20-21-22-23-25-28-31-34(30-27-24-14-10-6-2)38(37(41)42,33-29-12-8-4)43-35(36(39)40)32-26-11-7-3/h34-35H,5-33H2,1-4H3,(H,39,40)(H,41,42)/p-2