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

Systemtic Name: (3-hexadecanoyl-3-methyl-4-oxidanylidene-nonadecyl)oxidanium; methyl sulfate Openeye Name: (3-hexadecanoyl-3-methyl-4-oxo-nonadecyl)oxonium; methyl sulfate CAS Name: [3-methyl-4-oxo-3-(1-oxohexadecyl)nonadecyl]oxonium; methyl sulfate IUPAC Name: (3-hexadecanoyl-3-methyl-4-oxononadecyl)oxidanium; methyl sulfate Traditional Name: (3-hexadecanoyl-4-keto-3-methyl-nonadecyl)oxonium; methyl sulfate Formula: C37H74O7S MolecularWeight: 663.04426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H70O3.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-34(38)36(3,32-33-37)35(39)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h37H,4-33H2,1-3H3;1H3,(H,2,3,4)