hydrogen sulfate; methyl-tris(3-oxidanylideneicosyl)azanium

Systemtic Name: hydrogen sulfate; methyl-tris(3-oxidanylideneicosyl)azanium Openeye Name: hydrogen sulfate; methyl-tris(3-oxoicosyl)ammonium CAS Name: hydrogen sulfate; methyl-tris(3-oxoeicosyl)ammonium IUPAC Name: hydrogen sulfate; methyl-tris(3-oxoicosyl)azanium Traditional Name: tris(3-ketoeicosyl)-methyl-ammonium bisulfate Formula: C61H121NO7S MolecularWeight: 1012.68094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)CC[N+](C)(CCC(=O)CCCCCCCCCCCCCCCCC)CCC(=O)CCCCCCCCCCCCCCCCC.OS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)CC[N+](C)(CCC(=O)CCCCCCCCCCCCCCCCC)CCC(=O)CCCCCCCCCCCCCCCCC.OS(=O)(=O)[O-]

InChI

InChI=1S/C61H120NO3.H2O4S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-59(63)53-56-62(4,57-54-60(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)58-55-61(65)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;1-5(2,3)4/h5-58H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1