dipotassium 4-[5-carboxy-4-[(E,3E)-3-[3-carboxy-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxidanyl-1,3-dihydropyrazol-2-yl]benzenesulfonate

Systemtic Name: dipotassium 4-[5-carboxy-4-[(E,3E)-3-[3-carboxy-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxidanyl-1,3-dihydropyrazol-2-yl]benzenesulfonate Openeye Name: dipotassium 4-[5-carboxy-4-[(E,3E)-3-[3-carboxy-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-hydroxy-1,3-dihydropyrazol-2-yl]benzenesulfonate CAS Name: dipotassium 4-[5-carboxy-4-[(E,3E)-3-[3-carboxy-5-oxo-1-(4-sulfonatophenyl)-4-pyrazolylidene]prop-1-enyl]-3-hydroxy-1,3-dihydropyrazol-2-yl]benzenesulfonate IUPAC Name: dipotassium 4-[5-carboxy-4-[(E,3E)-3-[3-carboxy-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-hydroxy-1,3-dihydropyrazol-2-yl]benzenesulfonate Traditional Name: dipotassium 4-[3-carboxy-4-[(E,3E)-3-[3-carboxy-5-keto-1-(4-sulfonatophenyl)-2-pyrazolin-4-ylidene]prop-1-enyl]-5-hydroxy-3-pyrazolin-1-yl]besylate Formula: C23H16K2N4O12S2 MolecularWeight: 682.71934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(C(=C(N2)C(=O)O)C=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)O)O)S(=O)(=O)[O-].[K+].[K+]

Isomeric SMILES

C1=CC(=CC=C1N2C(C(=C(N2)C(=O)O)/C=C/C=C/3\C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)O)O)S(=O)(=O)[O-].[K+].[K+]

InChI

InChI=1S/C23H18N4O12S2.2K/c28-20-16(18(22(30)31)24-26(20)12-4-8-14(9-5-12)40(34,35)36)2-1-3-17-19(23(32)33)25-27(21(17)29)13-6-10-15(11-7-13)41(37,38)39;;/h1-11,20,24,28H,(H,30,31)(H,32,33)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2/b2-1+,17-3+;;