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

Systemtic Name: methyl sulfate; 1-phenyl-1H-pyrazol-1-ium Openeye Name: methyl sulfate; 1-phenyl-1H-pyrazol-1-ium CAS Name: methyl sulfate; 1-phenyl-1H-pyrazol-1-ium IUPAC Name: methyl sulfate; 1-phenyl-1H-pyrazol-1-ium Traditional Name: methyl sulfate; 1-phenyl-1H-pyrazol-1-ium Formula: C10H12N2O4S MolecularWeight: 256.27828

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2C=CC=N2

Isomeric SMILES

COS(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2C=CC=N2

InChI

InChI=1S/C9H8N2.CH4O4S/c1-2-5-9(6-3-1)11-8-4-7-10-11;1-5-6(2,3)4/h1-8H;1H3,(H,2,3,4)