(3-methyl-3-octadecanoyl-4-oxidanylidene-henicosyl)oxidanium; methyl sulfate

Systemtic Name: (3-methyl-3-octadecanoyl-4-oxidanylidene-henicosyl)oxidanium; methyl sulfate Openeye Name: (3-methyl-3-octadecanoyl-4-oxo-henicosyl)oxonium; methyl sulfate CAS Name: [3-methyl-4-oxo-3-(1-oxooctadecyl)heneicosyl]oxonium; methyl sulfate IUPAC Name: (3-methyl-3-octadecanoyl-4-oxohenicosyl)oxidanium; methyl sulfate Traditional Name: (4-keto-3-methyl-3-stearoyl-heneicosyl)oxonium; methyl sulfate Formula: C41H82O7S MolecularWeight: 719.15058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H78O3.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(42)40(3,36-37-41)39(43)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h41H,4-37H2,1-3H3;1H3,(H,2,3,4)