(4E)-4-[(E)-3-[5-methoxycarbonyl-3-oxidanylidene-2-(4-sulfophenyl)-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxidanylidene-1-(4-sulfophenyl)pyrazole-3-carboxylate

Systemtic Name: (4E)-4-[(E)-3-[5-methoxycarbonyl-3-oxidanylidene-2-(4-sulfophenyl)-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxidanylidene-1-(4-sulfophenyl)pyrazole-3-carboxylate Openeye Name: (4E)-4-[(E)-3-[5-methoxycarbonyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylate CAS Name: (4E)-4-[(E)-3-[5-methoxycarbonyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxo-1-(4-sulfophenyl)-3-pyrazolecarboxylate IUPAC Name: (4E)-4-[(E)-3-[5-methoxycarbonyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylate Traditional Name: (4E)-4-[(E)-3-[3-carbomethoxy-5-keto-1-(4-sulfophenyl)-3-pyrazolin-4-yl]prop-2-enylidene]-5-keto-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylate Formula: C24H17N4O12S2- MolecularWeight: 617.54138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)C=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)/C=C/C=C/3\C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C24H18N4O12S2/c1-40-24(33)20-18(22(30)28(26-20)14-7-11-16(12-8-14)42(37,38)39)4-2-3-17-19(23(31)32)25-27(21(17)29)13-5-9-15(10-6-13)41(34,35)36/h2-12,26H,1H3,(H,31,32)(H,34,35,36)(H,37,38,39)/p-1/b4-2+,17-3+