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

Systemtic Name: dipotassium 4-[4-[(E,3Z)-3-[3-ethoxycarbonyl-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-5-(ethylperoxymethyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate Openeye Name: dipotassium 4-[4-[(E,3Z)-3-[3-ethoxycarbonyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-5-(ethylperoxymethyl)-3-oxo-1H-pyrazol-2-yl]benzenesulfonate CAS Name: dipotassium 4-[4-[(E,3Z)-3-[3-ethoxycarbonyl-5-oxo-1-(4-sulfonatophenyl)-4-pyrazolylidene]prop-1-enyl]-5-(ethyldioxymethyl)-3-oxo-1H-pyrazol-2-yl]benzenesulfonate IUPAC Name: dipotassium 4-[4-[(E,3Z)-3-[3-ethoxycarbonyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-5-(ethylperoxymethyl)-3-oxo-1H-pyrazol-2-yl]benzenesulfonate Traditional Name: dipotassium 4-[4-[(E,3Z)-3-[3-carbethoxy-5-keto-1-(4-sulfonatophenyl)-2-pyrazolin-4-ylidene]prop-1-enyl]-3-(ethylperoxymethyl)-5-keto-3-pyrazolin-1-yl]besylate Formula: C27H24K2N4O12S2 MolecularWeight: 738.82566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1=CC=CC2=C(NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])COOCC)C4=CC=C(C=C4)S(=O)(=O)[O-].[K+].[K+]

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O12S2.2K/c1-3-41-27(34)24-22(26(33)31(29-24)18-10-14-20(15-11-18)45(38,39)40)7-5-6-21-23(16-43-42-4-2)28-30(25(21)32)17-8-12-19(13-9-17)44(35,36)37;;/h5-15,28H,3-4,16H2,1-2H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b6-5+,22-7-;;