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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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