disodium 2-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzene-1,4-disulfonate

Systemtic Name: disodium 2-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzene-1,4-disulfonate Openeye Name: disodium 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzene-1,4-disulfonate CAS Name: disodium 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzene-1,4-disulfonate IUPAC Name: disodium 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzene-1,4-disulfonate Traditional Name: disodium 2-(5-keto-3-methyl-2-pyrazolin-1-yl)benzene-1,4-disulfonate Formula: C10H8N2Na2O7S2 MolecularWeight: 378.28926

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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-].[Na+].[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C10H10N2O7S2.2Na/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);;/q;2*+1/p-2