methyl sulfate; 19-octadecylheptatriacontan-19-ylazanium

Systemtic Name: methyl sulfate; 19-octadecylheptatriacontan-19-ylazanium Openeye Name: 1,1-dioctadecylnonadecylammonium; methyl sulfate CAS Name: methyl sulfate; 19-octadecylheptatriacontan-19-ylammonium IUPAC Name: methyl sulfate; 19-octadecylheptatriacontan-19-ylazanium Traditional Name: 1,1-distearylnonadecylammonium; methyl sulfate Formula: C56H117NO4S MolecularWeight: 900.59748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)[NH3+].COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)[NH3+].COS(=O)(=O)[O-]

InChI

InChI=1S/C55H113N.CH4O4S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(56,53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;1-5-6(2,3)4/h4-54,56H2,1-3H3;1H3,(H,2,3,4)