[3-methyl-1,1-bis(oxidanyl)henicosan-2-yl]azanium sulfate

Systemtic Name: [3-methyl-1,1-bis(oxidanyl)henicosan-2-yl]azanium sulfate Openeye Name: [1-(dihydroxymethyl)-2-methyl-icosyl]ammonium sulfate CAS Name: (1,1-dihydroxy-3-methylheneicosan-2-yl)ammonium sulfate IUPAC Name: (1,1-dihydroxy-3-methylhenicosan-2-yl)azanium sulfate Traditional Name: [1-(dihydroxymethyl)-2-methyl-eicosyl]ammonium sulfate Formula: C22H48NO6S- MolecularWeight: 454.68462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C)C(C(O)O)[NH3+].[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C)C(C(O)O)[NH3+].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C22H47NO2.H2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(23)22(24)25;1-5(2,3)4/h20-22,24-25H,3-19,23H2,1-2H3;(H2,1,2,3,4)/p-1