disodium 4-[[3-ethoxycarbonyl-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate

Systemtic Name: disodium 4-[[3-ethoxycarbonyl-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate Openeye Name: disodium 4-[[3-ethoxycarbonyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]naphthalene-1-sulfonate CAS Name: disodium 4-[[3-ethoxycarbonyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]-1-naphthalenesulfonate IUPAC Name: disodium 4-[[3-ethoxycarbonyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate Traditional Name: disodium 4-[[3-carbethoxy-5-keto-1-(4-sulfonatophenyl)-2-pyrazolin-4-yl]azo]naphthalene-1-sulfonate Formula: C22H16N4Na2O9S2 MolecularWeight: 590.49338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1N=NC2=CC=C(C3=CC=CC=C32)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C1N=NC2=CC=C(C3=CC=CC=C32)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C22H18N4O9S2.2Na/c1-2-35-22(28)20-19(21(27)26(25-20)13-7-9-14(10-8-13)36(29,30)31)24-23-17-11-12-18(37(32,33)34)16-6-4-3-5-15(16)17;;/h3-12,19H,2H2,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2