3-oxidanylidene-4-[3-[5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]prop-1-enyl]-2-(4-sulfophenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-oxidanylidene-4-[3-[5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]prop-1-enyl]-2-(4-sulfophenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-oxo-4-[3-[5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]prop-1-enyl]-2-(4-sulfophenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-oxo-4-[3-[5-oxo-1-(4-sulfophenyl)-4-pyrazolylidene]prop-1-enyl]-2-(4-sulfophenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-oxo-4-[3-[5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]prop-1-enyl]-2-(4-sulfophenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 5-keto-4-[3-[5-keto-1-(4-sulfophenyl)-2-pyrazolin-4-ylidene]prop-1-enyl]-1-(4-sulfophenyl)-3-pyrazoline-3-carboxylic acid Formula: C22H16N4O10S2 MolecularWeight: 560.51324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=C(N2)C(=O)O)C=CC=C3C=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(=C(N2)C(=O)O)C=CC=C3C=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H16N4O10S2/c27-20-13(12-23-25(20)14-4-8-16(9-5-14)37(31,32)33)2-1-3-18-19(22(29)30)24-26(21(18)28)15-6-10-17(11-7-15)38(34,35)36/h1-12,24H,(H,29,30)(H,31,32,33)(H,34,35,36)