(4E)-4-[[4-[(E)-2-[4-[(2Z)-2-(3-carboxy-5-oxidanylidene-1-pyridin-2-yl-pyrazol-4-ylidene)hydrazinyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]hydrazinylidene]-5-oxidanylidene-1-pyridin-2-yl-pyrazole-3-carboxylic acid; sodium

Systemtic Name: (4E)-4-[[4-[(E)-2-[4-[(2Z)-2-(3-carboxy-5-oxidanylidene-1-pyridin-2-yl-pyrazol-4-ylidene)hydrazinyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]hydrazinylidene]-5-oxidanylidene-1-pyridin-2-yl-pyrazole-3-carboxylic acid; sodium Openeye Name: (4E)-4-[[4-[(E)-2-[4-[(2Z)-2-[3-carboxy-5-oxo-1-(2-pyridyl)pyrazol-4-ylidene]hydrazino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]hydrazono]-5-oxo-1-(2-pyridyl)pyrazole-3-carboxylic acid; sodium CAS Name: (4E)-4-[[4-[(E)-2-[4-[(2Z)-2-[3-carboxy-5-oxo-1-(2-pyridinyl)-4-pyrazolylidene]hydrazinyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]hydrazinylidene]-5-oxo-1-(2-pyridinyl)-3-pyrazolecarboxylic acid; sodium IUPAC Name: (4E)-4-[[4-[(E)-2-[4-[(2Z)-2-(3-carboxy-5-oxo-1-pyridin-2-ylpyrazol-4-ylidene)hydrazinyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]hydrazinylidene]-5-oxo-1-pyridin-2-ylpyrazole-3-carboxylic acid; sodium Traditional Name: (4E)-4-[[4-[(E)-2-[4-[(N'Z)-N'-[3-carboxy-5-keto-1-(2-pyridyl)-2-pyrazolin-4-ylidene]hydrazino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]hydrazono]-5-keto-1-(2-pyridyl)-2-pyrazoline-3-carboxylic acid; sodium Formula: C32H22N10NaO12S2 MolecularWeight: 825.69665

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N2C(=O)C(=NNC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NN=C5C(=NN(C5=O)C6=CC=CC=N6)C(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=N2)C(=O)O.[Na]

Isomeric SMILES

C1=CC=NC(=C1)N2C(=O)/C(=N/NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)N/N=C\5/C(=NN(C5=O)C6=CC=CC=N6)C(=O)O)S(=O)(=O)O)S(=O)(=O)O)/C(=N2)C(=O)O.[Na]

InChI

InChI=1S/C32H22N10O12S2.Na/c43-29-25(27(31(45)46)39-41(29)23-5-1-3-13-33-23)37-35-19-11-9-17(21(15-19)55(49,50)51)7-8-18-10-12-20(16-22(18)56(52,53)54)36-38-26-28(32(47)48)40-42(30(26)44)24-6-2-4-14-34-24;/h1-16,35-36H,(H,45,46)(H,47,48)(H,49,50,51)(H,52,53,54);/b8-7+,37-25-,38-26+;