tetrasodium (4Z)-4-[[4-[4-[(2Z)-2-(3-carboxylato-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]-2-sulfonato-phenyl]-3-sulfonato-phenyl]hydrazinylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: tetrasodium (4Z)-4-[[4-[4-[(2Z)-2-(3-carboxylato-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]-2-sulfonato-phenyl]-3-sulfonato-phenyl]hydrazinylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate Openeye Name: tetrasodium (4Z)-4-[[4-[4-[(2Z)-2-(3-carboxylato-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]-2-sulfonato-phenyl]-3-sulfonato-phenyl]hydrazono]-5-oxo-1-phenyl-pyrazole-3-carboxylate CAS Name: tetrasodium (4Z)-4-[[4-[4-[(2Z)-2-(3-carboxylato-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]-2-sulfonatophenyl]-3-sulfonatophenyl]hydrazinylidene]-5-oxo-1-phenyl-3-pyrazolecarboxylate IUPAC Name: tetrasodium (4Z)-4-[[4-[4-[(2Z)-2-(3-carboxylato-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]-2-sulfonatophenyl]-3-sulfonatophenyl]hydrazinylidene]-5-oxo-1-phenylpyrazole-3-carboxylate Traditional Name: tetrasodium (4Z)-4-[[4-[4-[(N'Z)-N'-(3-carboxylato-5-keto-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]-2-sulfonato-phenyl]-3-sulfonato-phenyl]hydrazono]-5-keto-1-phenyl-2-pyrazoline-3-carboxylate Formula: C32H18N8Na4O12S2 MolecularWeight: 862.6208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)N2N=C(/C(=N/NC3=CC(=C(C=C3)C4=C(C=C(C=C4)N/N=C/5\C(=O)N(N=C5C(=O)[O-])C6=CC=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])/C2=O)C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C32H22N8O12S2.4Na/c41-29-25(27(31(43)44)37-39(29)19-7-3-1-4-8-19)35-33-17-11-13-21(23(15-17)53(47,48)49)22-14-12-18(16-24(22)54(50,51)52)34-36-26-28(32(45)46)38-40(30(26)42)20-9-5-2-6-10-20;;;;/h1-16,33-34H,(H,43,44)(H,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4/b35-25-,36-26-;;;;