(4Z)-4-[(2E,4E,6E)-7-[3-carboxy-1-(3,5-disulfophenyl)-5-oxidanylidene-4H-pyrazol-4-yl]hepta-2,4,6-trienylidene]-1-(3,5-disulfophenyl)-5-oxidanylidene-pyrazole-3-carboxylic acid

Systemtic Name: (4Z)-4-[(2E,4E,6E)-7-[3-carboxy-1-(3,5-disulfophenyl)-5-oxidanylidene-4H-pyrazol-4-yl]hepta-2,4,6-trienylidene]-1-(3,5-disulfophenyl)-5-oxidanylidene-pyrazole-3-carboxylic acid Openeye Name: (4Z)-4-[(2E,4E,6E)-7-[3-carboxy-1-(3,5-disulfophenyl)-5-oxo-4H-pyrazol-4-yl]hepta-2,4,6-trienylidene]-1-(3,5-disulfophenyl)-5-oxo-pyrazole-3-carboxylic acid CAS Name: (4Z)-4-[(2E,4E,6E)-7-[3-carboxy-1-(3,5-disulfophenyl)-5-oxo-4H-pyrazol-4-yl]hepta-2,4,6-trienylidene]-1-(3,5-disulfophenyl)-5-oxo-3-pyrazolecarboxylic acid IUPAC Name: (4Z)-4-[(2E,4E,6E)-7-[3-carboxy-1-(3,5-disulfophenyl)-5-oxo-4H-pyrazol-4-yl]hepta-2,4,6-trienylidene]-1-(3,5-disulfophenyl)-5-oxopyrazole-3-carboxylic acid Traditional Name: (4Z)-4-[(2E,4E,6E)-7-[3-carboxy-1-(3,5-disulfophenyl)-5-keto-2-pyrazolin-4-yl]hepta-2,4,6-trienylidene]-1-(3,5-disulfophenyl)-5-keto-2-pyrazoline-3-carboxylic acid Formula: C27H20N4O18S4 MolecularWeight: 816.7237

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1S(=O)(=O)O)S(=O)(=O)O)N2C(=O)C(C(=N2)C(=O)O)C=CC=CC=CC=C3C(=NN(C3=O)C4=CC(=CC(=C4)S(=O)(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1S(=O)(=O)O)S(=O)(=O)O)N2C(=O)C(C(=N2)C(=O)O)/C=C/C=C/C=C/C=C\3/C(=NN(C3=O)C4=CC(=CC(=C4)S(=O)(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C27H20N4O18S4/c32-24-20(22(26(34)35)28-30(24)14-8-16(50(38,39)40)12-17(9-14)51(41,42)43)6-4-2-1-3-5-7-21-23(27(36)37)29-31(25(21)33)15-10-18(52(44,45)46)13-19(11-15)53(47,48)49/h1-13,20H,(H,34,35)(H,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)/b2-1+,5-3+,6-4+,21-7-