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methyl hydrogen sulfate; pyrazol-3-one

methyl hydrogen sulfate; pyrazol-3-one

Systemtic Name:methyl hydrogen sulfate; pyrazol-3-one
Openeye Name:methyl hydrogen sulfate; pyrazol-3-one
CAS Name:3-pyrazolone; sulfuric acid methyl ester
IUPAC Name:methyl hydrogen sulfate; pyrazol-3-one
Traditional Name:pyrazol-3-one; sulfuric acid methyl ester
Formula: C4H6N2O5S
MolecularWeight: 194.16584
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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)O.C1=CN=NC1=O


Isomeric SMILES

COS(=O)(=O)O.C1=CN=NC1=O


InChI

InChI=1S/C3H2N2O.CH4O4S/c6-3-1-2-4-5-3;1-5-6(2,3)4/h1-2H;1H3,(H,2,3,4)


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