(3-methyl-4-oxidanylidene-nonadecyl)oxidanium; methyl sulfate

Systemtic Name: (3-methyl-4-oxidanylidene-nonadecyl)oxidanium; methyl sulfate Openeye Name: (3-methyl-4-oxo-nonadecyl)oxonium; methyl sulfate CAS Name: (3-methyl-4-oxononadecyl)oxonium; methyl sulfate IUPAC Name: (3-methyl-4-oxononadecyl)oxidanium; methyl sulfate Traditional Name: (4-keto-3-methyl-nonadecyl)oxonium; methyl sulfate Formula: C21H44O6S MolecularWeight: 424.63546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H40O2.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(22)19(2)17-18-21;1-5-6(2,3)4/h19,21H,3-18H2,1-2H3;1H3,(H,2,3,4)