4-[(E,3Z)-3-[3-carboxylato-5-oxidanylidene-1-(4-sulfonatophenyl)-1H-pyrazol-1-ium-4-ylidene]prop-1-enyl]-5-oxidanidyl-1-(4-sulfonatophenyl)pyrazole-3-carboxylate

Systemtic Name: 4-[(E,3Z)-3-[3-carboxylato-5-oxidanylidene-1-(4-sulfonatophenyl)-1H-pyrazol-1-ium-4-ylidene]prop-1-enyl]-5-oxidanidyl-1-(4-sulfonatophenyl)pyrazole-3-carboxylate Openeye Name: 4-[(E,3Z)-3-[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-1H-pyrazol-1-ium-4-ylidene]prop-1-enyl]-5-oxido-1-(4-sulfonatophenyl)pyrazole-3-carboxylate CAS Name: 4-[(E,3Z)-3-[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-1H-pyrazol-1-ium-4-ylidene]prop-1-enyl]-5-oxido-1-(4-sulfonatophenyl)-3-pyrazolecarboxylate IUPAC Name: 4-[(E,3Z)-3-[3-carboxylato-5-oxo-1-(4-sulfonatophenyl)-1H-pyrazol-1-ium-4-ylidene]prop-1-enyl]-5-oxido-1-(4-sulfonatophenyl)pyrazole-3-carboxylate Traditional Name: 4-[(E,3Z)-3-[3-carboxylato-5-keto-1-(4-sulfonatophenyl)-2-pyrazolin-1-ium-4-ylidene]prop-1-enyl]-5-oxido-1-(4-sulfonatophenyl)pyrazole-3-carboxylate Formula: C23H12N4O12S2-4 MolecularWeight: 600.49098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[NH+]2C(=O)C(=CC=CC3=C(N(N=C3C(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-])[O-])C(=N2)C(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[NH+]2C(=O)/C(=C\C=C\C3=C(N(N=C3C(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-])[O-])/C(=N2)C(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C23H16N4O12S2/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/h1-11,28H,(H,30,31)(H,32,33)(H,34,35,36)(H,37,38,39)/p-4/b2-1+,17-3-