disodium [5-methyl-4-[(Z)-[3-methyl-5-oxidanylidene-1-(sulfonatomethyl)pyrazol-4-ylidene]methyl]-3-oxidanylidene-1H-pyrazol-2-yl]methanesulfonate

Systemtic Name: disodium [5-methyl-4-[(Z)-[3-methyl-5-oxidanylidene-1-(sulfonatomethyl)pyrazol-4-ylidene]methyl]-3-oxidanylidene-1H-pyrazol-2-yl]methanesulfonate Openeye Name: disodium [5-methyl-4-[(Z)-[3-methyl-5-oxo-1-(sulfonatomethyl)pyrazol-4-ylidene]methyl]-3-oxo-1H-pyrazol-2-yl]methanesulfonate CAS Name: disodium [5-methyl-4-[(Z)-[3-methyl-5-oxo-1-(sulfonatomethyl)-4-pyrazolylidene]methyl]-3-oxo-1H-pyrazol-2-yl]methanesulfonate IUPAC Name: disodium [5-methyl-4-[(Z)-[3-methyl-5-oxo-1-(sulfonatomethyl)pyrazol-4-ylidene]methyl]-3-oxo-1H-pyrazol-2-yl]methanesulfonate Traditional Name: disodium [5-keto-4-[(Z)-[5-keto-3-methyl-1-(sulfonatomethyl)-2-pyrazolin-4-ylidene]methyl]-3-methyl-3-pyrazolin-1-yl]methanesulfonate Formula: C11H12N4Na2O8S2 MolecularWeight: 438.34452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)CS(=O)(=O)[O-])C=C2C(=NN(C2=O)CS(=O)(=O)[O-])C.[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=O)N(N1)CS(=O)(=O)[O-])/C=C\2/C(=NN(C2=O)CS(=O)(=O)[O-])C.[Na+].[Na+]

InChI

InChI=1S/C11H14N4O8S2.2Na/c1-6-8(10(16)14(12-6)4-24(18,19)20)3-9-7(2)13-15(11(9)17)5-25(21,22)23;;/h3,12H,4-5H2,1-2H3,(H,18,19,20)(H,21,22,23);;/q;2*+1/p-2/b9-3-;;