4-[2-[4-[2-[4-[2-(3-carboxy-5-oxidanylidene-pyrazol-4-yl)hydrazinyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]hydrazinyl]-5-oxidanylidene-pyrazole-3-carboxylic acid; sodium

Systemtic Name: 4-[2-[4-[2-[4-[2-(3-carboxy-5-oxidanylidene-pyrazol-4-yl)hydrazinyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]hydrazinyl]-5-oxidanylidene-pyrazole-3-carboxylic acid; sodium Openeye Name: 4-[2-[4-[2-[4-[2-(3-carboxy-5-oxo-pyrazol-4-yl)hydrazino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]hydrazino]-5-oxo-pyrazole-3-carboxylic acid; sodium CAS Name: 4-[[4-[2-[4-[(3-carboxy-5-oxo-4-pyrazolyl)hydrazo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]hydrazo]-5-oxo-3-pyrazolecarboxylic acid; sodium IUPAC Name: 4-[2-[4-[2-[4-[2-(3-carboxy-5-oxopyrazol-4-yl)hydrazinyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]hydrazinyl]-5-oxopyrazole-3-carboxylic acid; sodium Traditional Name: 4-[N'-[4-[2-[4-[N'-(3-carboxy-5-keto-pyrazol-4-yl)hydrazino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]hydrazino]-5-keto-pyrazole-3-carboxylic acid; sodium Formula: C22H16N8NaO12S2 MolecularWeight: 671.52861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NNC2=C(N=NC2=O)C(=O)O)S(=O)(=O)O)C=CC3=C(C=C(C=C3)NNC4=C(N=NC4=O)C(=O)O)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC(=C(C=C1NNC2=C(N=NC2=O)C(=O)O)S(=O)(=O)O)C=CC3=C(C=C(C=C3)NNC4=C(N=NC4=O)C(=O)O)S(=O)(=O)O.[Na]

InChI

InChI=1S/C22H16N8O12S2.Na/c31-19-15(17(21(33)34)27-29-19)25-23-11-5-3-9(13(7-11)43(37,38)39)1-2-10-4-6-12(8-14(10)44(40,41)42)24-26-16-18(22(35)36)28-30-20(16)32;/h1-8,23-24H,(H,33,34)(H,35,36)(H,25,29,31)(H,26,30,32)(H,37,38,39)(H,40,41,42);