2-[4-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)phenyl]sulfonylethyl hydrogen sulfate

Systemtic Name: 2-[4-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)phenyl]sulfonylethyl hydrogen sulfate Openeye Name: 2-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]sulfonylethyl hydrogen sulfate CAS Name: sulfuric acid 2-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]sulfonylethyl ester IUPAC Name: 2-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]sulfonylethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[4-(5-keto-3-methyl-3-pyrazolin-1-yl)phenyl]sulfonylethyl ester Formula: C12H14N2O7S2 MolecularWeight: 362.37876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O

Isomeric SMILES

CC1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C12H14N2O7S2/c1-9-8-12(15)14(13-9)10-2-4-11(5-3-10)22(16,17)7-6-21-23(18,19)20/h2-5,8,13H,6-7H2,1H3,(H,18,19,20)