4-[(E)-3-[5-carboxylato-3-oxidanylidene-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]prop-2-enyl]-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate

Systemtic Name: 4-[(E)-3-[5-carboxylato-3-oxidanylidene-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]prop-2-enyl]-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate Openeye Name: 4-[(E)-3-[5-carboxylato-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]allyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate CAS Name: 4-[(E)-3-[5-carboxylato-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]prop-2-enyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate IUPAC Name: 4-[(E)-3-[5-carboxylato-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]prop-2-enyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate Traditional Name: 4-[(E)-3-[3-carboxylato-5-keto-1-(4-sulfonatophenyl)-3-pyrazolin-4-yl]allyl]-5-keto-1-(4-sulfonatophenyl)-2-pyrazoline-3-carboxylate Formula: C23H14N4O12S2-4 MolecularWeight: 602.50686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(C(=N2)C(=O)[O-])CC=CC3=C(NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(C(=N2)C(=O)[O-])C/C=C/C3=C(NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C23H18N4O12S2/c28-20-16(18(22(30)31)24-26(20)12-4-8-14(9-5-12)40(34,35)36)2-1-3-17-19(23(32)33)25-27(21(17)29)13-6-10-15(11-7-13)41(37,38)39/h1-2,4-11,17,24H,3H2,(H,30,31)(H,32,33)(H,34,35,36)(H,37,38,39)/p-4/b2-1+