methyl sulfate; 5-phenyl-1H-pyrazol-1-ium

Systemtic Name: methyl sulfate; 5-phenyl-1H-pyrazol-1-ium Openeye Name: methyl sulfate; 5-phenyl-1H-pyrazol-1-ium CAS Name: methyl sulfate; 5-phenyl-1H-pyrazol-1-ium IUPAC Name: methyl sulfate; 5-phenyl-1H-pyrazol-1-ium Traditional Name: methyl sulfate; 5-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)C2=CC=N[NH2+]2

Isomeric SMILES

COS(=O)(=O)[O-].C1=CC=C(C=C1)C2=CC=N[NH2+]2

InChI

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