(4-methyl-4-octadecanoyl-5-oxidanylidene-docosyl)oxidanium; methyl sulfate

Systemtic Name: (4-methyl-4-octadecanoyl-5-oxidanylidene-docosyl)oxidanium; methyl sulfate Openeye Name: (4-methyl-4-octadecanoyl-5-oxo-docosyl)oxonium; methyl sulfate CAS Name: [4-methyl-5-oxo-4-(1-oxooctadecyl)docosyl]oxonium; methyl sulfate IUPAC Name: (4-methyl-4-octadecanoyl-5-oxodocosyl)oxidanium; methyl sulfate Traditional Name: (5-keto-4-methyl-4-stearoyl-docosyl)oxonium; methyl sulfate Formula: C42H84O7S MolecularWeight: 733.17716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H80O3.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-39(43)41(3,37-34-38-42)40(44)36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h42H,4-38H2,1-3H3;1H3,(H,2,3,4)