dipotassium 4-[5-ethoxycarbonyl-4-[(1E,3E,5Z)-5-[3-ethoxycarbonyl-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate

Systemtic Name: dipotassium 4-[5-ethoxycarbonyl-4-[(1E,3E,5Z)-5-[3-ethoxycarbonyl-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate Openeye Name: dipotassium 4-[5-ethoxycarbonyl-4-[(1E,3E,5Z)-5-[3-ethoxycarbonyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate CAS Name: dipotassium 4-[5-ethoxycarbonyl-4-[(1E,3E,5Z)-5-[3-ethoxycarbonyl-5-oxo-1-(4-sulfonatophenyl)-4-pyrazolylidene]penta-1,3-dienyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate IUPAC Name: dipotassium 4-[5-ethoxycarbonyl-4-[(1E,3E,5Z)-5-[3-ethoxycarbonyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate Traditional Name: dipotassium 4-[3-carbethoxy-4-[(1E,3E,5Z)-5-[3-carbethoxy-5-keto-1-(4-sulfonatophenyl)-2-pyrazolin-4-ylidene]penta-1,3-dienyl]-5-keto-3-pyrazolin-1-yl]besylate Formula: C29H24K2N4O12S2 MolecularWeight: 762.84706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)[O-])C=CC=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)OCC.[K+].[K+]

Isomeric SMILES

CCOC(=O)C1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)[O-])/C=C/C=C/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)OCC.[K+].[K+]

InChI

InChI=1S/C29H26N4O12S2.2K/c1-3-44-28(36)24-22(26(34)32(30-24)18-10-14-20(15-11-18)46(38,39)40)8-6-5-7-9-23-25(29(37)45-4-2)31-33(27(23)35)19-12-16-21(17-13-19)47(41,42)43;;/h5-17,30H,3-4H2,1-2H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/b7-5+,8-6+,23-9-;;