1-(3-methyl-5-oxidanylidene-pyrazol-4-yl)ethanesulfonic acid

Systemtic Name: 1-(3-methyl-5-oxidanylidene-pyrazol-4-yl)ethanesulfonic acid Openeye Name: 1-(3-methyl-5-oxo-pyrazol-4-yl)ethanesulfonic acid CAS Name: 1-(3-methyl-5-oxo-4-pyrazolyl)ethanesulfonic acid IUPAC Name: 1-(3-methyl-5-oxopyrazol-4-yl)ethanesulfonic acid Traditional Name: 1-(3-keto-5-methyl-pyrazol-4-yl)ethanesulfonic acid Formula: C6H8N2O4S MolecularWeight: 204.20372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=N1)C(C)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)N=N1)C(C)S(=O)(=O)O

InChI

InChI=1S/C6H8N2O4S/c1-3-5(6(9)8-7-3)4(2)13(10,11)12/h4H,1-2H3,(H,10,11,12)