4-[4-[5-[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate

Systemtic Name: 4-[4-[5-[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: 4-[4-[5-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: 4-[4-[5-[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4-pyrazolylidene]penta-1,3-dienyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: 4-[4-[5-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: 4-[5-keto-4-[5-[5-keto-3-methyl-1-(4-sulfonatophenyl)-2-pyrazolin-4-ylidene]penta-1,3-dienyl]-2-pyrazolin-1-yl]besylate Formula: C24H18N4O8S2-2 MolecularWeight: 554.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC=CC=CC2C=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=CC=CC=CC2C=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-]

InChI

InChI=1S/C24H20N4O8S2/c1-16-22(24(30)28(26-16)19-9-13-21(14-10-19)38(34,35)36)6-4-2-3-5-17-15-25-27(23(17)29)18-7-11-20(12-8-18)37(31,32)33/h2-15,17H,1H3,(H,31,32,33)(H,34,35,36)/p-2