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methyl hydrogen sulfate; methyl-tris(7-methyloctyl)azanium

methyl hydrogen sulfate; methyl-tris(7-methyloctyl)azanium

Systemtic Name:methyl hydrogen sulfate; methyl-tris(7-methyloctyl)azanium
Openeye Name:methyl hydrogen sulfate; methyl-tris(7-methyloctyl)ammonium
CAS Name:methyl-tris(7-methyloctyl)ammonium; sulfuric acid methyl ester
IUPAC Name:methyl hydrogen sulfate; methyl-tris(7-methyloctyl)azanium
Traditional Name:methyl-tris(7-methyloctyl)ammonium; sulfuric acid methyl ester
Formula: C29H64NO4S+
MolecularWeight: 522.88776
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC[N+](C)(CCCCCCC(C)C)CCCCCCC(C)C.COS(=O)(=O)O


Isomeric SMILES

CC(C)CCCCCC[N+](C)(CCCCCCC(C)C)CCCCCCC(C)C.COS(=O)(=O)O


InChI

InChI=1S/C28H60N.CH4O4S/c1-26(2)20-14-8-11-17-23-29(7,24-18-12-9-15-21-27(3)4)25-19-13-10-16-22-28(5)6;1-5-6(2,3)4/h26-28H,8-25H2,1-7H3;1H3,(H,2,3,4)/q+1;


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