disodium 5-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-2-[4-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-2-sulfonato-phenyl]benzenesulfonate

Systemtic Name: disodium 5-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-2-[4-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-2-sulfonato-phenyl]benzenesulfonate Openeye Name: disodium 5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-2-[4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-2-sulfonato-phenyl]benzenesulfonate CAS Name: disodium 5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-2-[4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-2-sulfonatophenyl]benzenesulfonate IUPAC Name: disodium 5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-2-[4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-2-sulfonatophenyl]benzenesulfonate Traditional Name: disodium 5-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)azo]-2-[4-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)azo]-2-sulfonato-phenyl]besylate Formula: C32H24N8Na2O8S2 MolecularWeight: 758.6913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2)C3=C(C=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=CC=C5)C)S(=O)(=O)[O-])S(=O)(=O)[O-])C6=CC=CC=C6.[Na+].[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2)C3=C(C=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=CC=C5)C)S(=O)(=O)[O-])S(=O)(=O)[O-])C6=CC=CC=C6.[Na+].[Na+]

InChI

InChI=1S/C32H26N8O8S2.2Na/c1-19-29(31(41)39(37-19)23-9-5-3-6-10-23)35-33-21-13-15-25(27(17-21)49(43,44)45)26-16-14-22(18-28(26)50(46,47)48)34-36-30-20(2)38-40(32(30)42)24-11-7-4-8-12-24;;/h3-18,29-30H,1-2H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2