dipotassium 4-[(5Z)-3-cyano-4-methyl-5-[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]-6-oxidanyl-2-oxidanylidene-3-[(E)-prop-1-enyl]piperidin-1-yl]benzenesulfonic acid

Systemtic Name: dipotassium 4-[(5Z)-3-cyano-4-methyl-5-[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]-6-oxidanyl-2-oxidanylidene-3-[(E)-prop-1-enyl]piperidin-1-yl]benzenesulfonic acid Openeye Name: dipotassium 4-[(5Z)-3-cyano-6-hydroxy-4-methyl-5-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]-2-oxo-3-[(E)-prop-1-enyl]-1-piperidyl]benzenesulfonic acid CAS Name: dipotassium 4-[(5Z)-3-cyano-6-hydroxy-4-methyl-5-[3-methyl-5-oxo-1-(4-sulfophenyl)-4-pyrazolylidene]-2-oxo-3-[(E)-prop-1-enyl]-1-piperidinyl]benzenesulfonic acid IUPAC Name: dipotassium 4-[(5Z)-3-cyano-6-hydroxy-4-methyl-5-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]-2-oxo-3-[(E)-prop-1-enyl]piperidin-1-yl]benzenesulfonic acid Traditional Name: dipotassium 4-[(5Z)-3-cyano-6-hydroxy-2-keto-5-[5-keto-3-methyl-1-(4-sulfophenyl)-2-pyrazolin-4-ylidene]-4-methyl-3-[(E)-prop-1-enyl]piperidino]besylic acid Formula: C26H24K2N4O9S2+2 MolecularWeight: 678.81676

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1(C(C(=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)C(N(C1=O)C4=CC=C(C=C4)S(=O)(=O)O)O)C)C#N.[K+].[K+]

Isomeric SMILES

C/C=C/C1(C(/C(=C/2\C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)/C(N(C1=O)C4=CC=C(C=C4)S(=O)(=O)O)O)C)C#N.[K+].[K+]

InChI

InChI=1S/C26H24N4O9S2.2K/c1-4-13-26(14-27)15(2)21(23(31)29(25(26)33)17-5-9-19(10-6-17)40(34,35)36)22-16(3)28-30(24(22)32)18-7-11-20(12-8-18)41(37,38)39;;/h4-13,15,23,31H,1-3H3,(H,34,35,36)(H,37,38,39);;/q;2*+1/b13-4+,22-21-;;