disodium 4-[(4E)-3-ethoxy-4-(oxidanidylmethylidene)-5-oxidanylidene-pyrazol-1-yl]-3-methyl-benzenesulfonate

Systemtic Name: disodium 4-[(4E)-3-ethoxy-4-(oxidanidylmethylidene)-5-oxidanylidene-pyrazol-1-yl]-3-methyl-benzenesulfonate Openeye Name: disodium 4-[(4E)-3-ethoxy-4-(oxidomethylene)-5-oxo-pyrazol-1-yl]-3-methyl-benzenesulfonate CAS Name: disodium 4-[(4E)-3-ethoxy-4-(oxidomethylidene)-5-oxo-1-pyrazolyl]-3-methylbenzenesulfonate IUPAC Name: disodium 4-[(4E)-3-ethoxy-4-(oxidomethylidene)-5-oxopyrazol-1-yl]-3-methylbenzenesulfonate Traditional Name: disodium 4-[(4E)-3-ethoxy-5-keto-4-(oxidomethylene)-2-pyrazolin-1-yl]-3-methyl-besylate Formula: C13H12N2Na2O6S MolecularWeight: 370.28872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=O)C1=C[O-])C2=C(C=C(C=C2)S(=O)(=O)[O-])C.[Na+].[Na+]

Isomeric SMILES

CCOC\1=NN(C(=O)/C1=C/[O-])C2=C(C=C(C=C2)S(=O)(=O)[O-])C.[Na+].[Na+]

InChI

InChI=1S/C13H14N2O6S.2Na/c1-3-21-12-10(7-16)13(17)15(14-12)11-5-4-9(6-8(11)2)22(18,19)20;;/h4-7,16H,3H2,1-2H3,(H,18,19,20);;/q;2*+1/p-2/b10-7+;;