methyl sulfate; 1H-pyrazol-1-ium; sulfate

Systemtic Name: methyl sulfate; 1H-pyrazol-1-ium; sulfate Openeye Name: methyl sulfate; 1H-pyrazol-1-ium; sulfate CAS Name: methyl sulfate; 1H-pyrazol-1-ium; sulfate IUPAC Name: methyl sulfate; 1H-pyrazol-1-ium; sulfate Traditional Name: methyl sulfate; 1H-pyrazol-1-ium; sulfate Formula: C10H18N6O8S2 MolecularWeight: 414.41532

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].C1=C[NH2+]N=C1.C1=C[NH2+]N=C1.C1=C[NH2+]N=C1.[O-]S(=O)(=O)[O-]

Isomeric SMILES

COS(=O)(=O)[O-].C1=C[NH2+]N=C1.C1=C[NH2+]N=C1.C1=C[NH2+]N=C1.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/3C3H4N2.CH4O4S.H2O4S/c3*1-2-4-5-3-1;1-5-6(2,3)4;1-5(2,3)4/h3*1-3H,(H,4,5);1H3,(H,2,3,4);(H2,1,2,3,4)