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(2-hexadecanoyl-3-oxidanylidene-octadecyl)oxidanium; methyl sulfate

(2-hexadecanoyl-3-oxidanylidene-octadecyl)oxidanium; methyl sulfate

Systemtic Name:(2-hexadecanoyl-3-oxidanylidene-octadecyl)oxidanium; methyl sulfate
Openeye Name:(2-hexadecanoyl-3-oxo-octadecyl)oxonium; methyl sulfate
CAS Name:methyl sulfate; [3-oxo-2-(1-oxohexadecyl)octadecyl]oxonium
IUPAC Name:(2-hexadecanoyl-3-oxooctadecyl)oxidanium; methyl sulfate
Traditional Name:(2-hexadecanoyl-3-keto-octadecyl)oxonium; methyl sulfate
Formula: C35H70O7S
MolecularWeight: 634.9911
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C34H66O3.CH4O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)32(31-35)34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5-6(2,3)4/h32,35H,3-31H2,1-2H3;1H3,(H,2,3,4)


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