2-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzene-1,4-disulfonic acid

Systemtic Name: 2-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzene-1,4-disulfonic acid Openeye Name: 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzene-1,4-disulfonic acid CAS Name: 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzene-1,4-disulfonic acid IUPAC Name: 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzene-1,4-disulfonic acid Traditional Name: 2-(5-keto-3-methyl-2-pyrazolin-1-yl)benzene-1,4-disulfonic acid Formula: C10H10N2O7S2 MolecularWeight: 334.3256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H10N2O7S2/c1-6-4-10(13)12(11-6)8-5-7(20(14,15)16)2-3-9(8)21(17,18)19/h2-3,5H,4H2,1H3,(H,14,15,16)(H,17,18,19)