(4-methyl-4-octadecanoyl-5-oxidanylidene-docosan-2-yl)oxidanium; methyl sulfate

Systemtic Name: (4-methyl-4-octadecanoyl-5-oxidanylidene-docosan-2-yl)oxidanium; methyl sulfate Openeye Name: (1,3-dimethyl-3-octadecanoyl-4-oxo-henicosyl)oxonium; methyl sulfate CAS Name: [4-methyl-5-oxo-4-(1-oxooctadecyl)docosan-2-yl]oxonium; methyl sulfate IUPAC Name: (4-methyl-4-octadecanoyl-5-oxodocosan-2-yl)oxidanium; methyl sulfate Traditional Name: (4-keto-1,3-dimethyl-3-stearoyl-heneicosyl)oxonium; methyl sulfate Formula: C42H84O7S MolecularWeight: 733.17716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C)(CC(C)[OH2+])C(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C)(CC(C)[OH2+])C(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C41H80O3.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(43)41(4,37-38(3)42)40(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h38,42H,5-37H2,1-4H3;1H3,(H,2,3,4)