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

Systemtic Name: disodium 2-(3-ethoxycarbonyl-5-oxidanylidene-4H-pyrazol-1-yl)benzene-1,4-disulfonate Openeye Name: disodium 2-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzene-1,4-disulfonate CAS Name: disodium 2-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzene-1,4-disulfonate IUPAC Name: disodium 2-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzene-1,4-disulfonate Traditional Name: disodium 2-(3-carbethoxy-5-keto-2-pyrazolin-1-yl)benzene-1,4-disulfonate Formula: C12H10N2Na2O9S2 MolecularWeight: 436.32534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O9S2.2Na/c1-2-23-12(16)8-6-11(15)14(13-8)9-5-7(24(17,18)19)3-4-10(9)25(20,21)22;;/h3-5H,2,6H2,1H3,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2