4-[5-cyano-4-[(3E)-3-[3-cyano-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]pentyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate

Systemtic Name: 4-[5-cyano-4-[(3E)-3-[3-cyano-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]pentyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate Openeye Name: 4-[5-cyano-4-[(3E)-3-[3-cyano-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]pentyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate CAS Name: 4-[5-cyano-4-[(3E)-3-[3-cyano-5-oxo-1-(4-sulfonatophenyl)-4-pyrazolylidene]pentyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate IUPAC Name: 4-[5-cyano-4-[(3E)-3-[3-cyano-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]pentyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate Traditional Name: 4-[3-cyano-4-[(3E)-3-[3-cyano-5-keto-1-(4-sulfonatophenyl)-2-pyrazolin-4-ylidene]pentyl]-5-keto-3-pyrazolin-1-yl]besylate Formula: C25H18N6O8S2-2 MolecularWeight: 594.57582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)[O-])C#N)CCC3=C(NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C#N

Isomeric SMILES

CC/C(=C\1/C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)[O-])C#N)/CCC3=C(NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C#N

InChI

InChI=1S/C25H20N6O8S2/c1-2-15(23-22(14-27)29-31(25(23)33)17-6-10-19(11-7-17)41(37,38)39)3-12-20-21(13-26)28-30(24(20)32)16-4-8-18(9-5-16)40(34,35)36/h4-11,28H,2-3,12H2,1H3,(H,34,35,36)(H,37,38,39)/p-2/b23-15+