disodium 2-[5-(2-ethoxyphenyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid

Systemtic Name: disodium 2-[5-(2-ethoxyphenyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid Openeye Name: disodium 2-[5-(2-ethoxyphenyl)-3-oxo-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid CAS Name: disodium 2-[5-(2-ethoxyphenyl)-3-oxo-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid IUPAC Name: disodium 2-[5-(2-ethoxyphenyl)-3-oxo-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid Traditional Name: disodium 2-(5-keto-3-o-phenetyl-3-pyrazolin-1-yl)benzene-1,4-disulfonic acid Formula: C17H16N2Na2O8S2+2 MolecularWeight: 486.42708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=CC(=O)N(N2)C3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

CCOC1=CC=CC=C1C2=CC(=O)N(N2)C3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C17H16N2O8S2.2Na/c1-2-27-15-6-4-3-5-12(15)13-10-17(20)19(18-13)14-9-11(28(21,22)23)7-8-16(14)29(24,25)26;;/h3-10,18H,2H2,1H3,(H,21,22,23)(H,24,25,26);;/q;2*+1