dipotassium 4-[(5Z)-3-isocyano-4-methyl-5-[(E)-3-[5-methyl-3-oxidanylidene-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]prop-2-enylidene]-2,6-bis(oxidanylidene)pyridin-1-yl]benzenesulfonate

Systemtic Name: dipotassium 4-[(5Z)-3-isocyano-4-methyl-5-[(E)-3-[5-methyl-3-oxidanylidene-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]prop-2-enylidene]-2,6-bis(oxidanylidene)pyridin-1-yl]benzenesulfonate Openeye Name: dipotassium 4-[(5Z)-3-isocyano-4-methyl-5-[(E)-3-[5-methyl-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]prop-2-enylidene]-2,6-dioxo-1-pyridyl]benzenesulfonate CAS Name: dipotassium 4-[(5Z)-3-isocyano-4-methyl-5-[(E)-3-[5-methyl-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]prop-2-enylidene]-2,6-dioxo-1-pyridinyl]benzenesulfonate IUPAC Name: dipotassium 4-[(5Z)-3-isocyano-4-methyl-5-[(E)-3-[5-methyl-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]prop-2-enylidene]-2,6-dioxopyridin-1-yl]benzenesulfonate Traditional Name: dipotassium 4-[(5Z)-3-isocyano-2,6-diketo-5-[(E)-3-[5-keto-3-methyl-1-(4-sulfonatophenyl)-3-pyrazolin-4-yl]prop-2-enylidene]-4-methyl-1-pyridyl]besylate Formula: C26H18K2N4O9S2 MolecularWeight: 672.76912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)C1=CC=CC2=C(NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C)C4=CC=C(C=C4)S(=O)(=O)[O-])[N+]#[C-].[K+].[K+]

Isomeric SMILES

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

InChI

InChI=1S/C26H20N4O9S2.2K/c1-15-21(24(31)29(26(33)23(15)27-3)17-7-11-19(12-8-17)40(34,35)36)5-4-6-22-16(2)28-30(25(22)32)18-9-13-20(14-10-18)41(37,38)39;;/h4-14,28H,1-2H3,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2/b6-4+,21-5-;;