trisodium 3-oxidanyl-1-phenyldiazenyl-2,4-bis(4-sulfonatophenyl)-3H-pyrazole-5-carboxylate

Systemtic Name: trisodium 3-oxidanyl-1-phenyldiazenyl-2,4-bis(4-sulfonatophenyl)-3H-pyrazole-5-carboxylate Openeye Name: trisodium 3-hydroxy-1-phenylazo-2,4-bis(4-sulfonatophenyl)-3H-pyrazole-5-carboxylate CAS Name: trisodium 3-hydroxy-1-phenyldiazenyl-2,4-bis(4-sulfonatophenyl)-3H-pyrazole-5-carboxylate IUPAC Name: trisodium 3-hydroxy-1-phenyldiazenyl-2,4-bis(4-sulfonatophenyl)-3H-pyrazole-5-carboxylate Traditional Name: trisodium 5-hydroxy-2-phenylazo-1,4-bis(4-sulfonatophenyl)-3-pyrazoline-3-carboxylate Formula: C22H15N4Na3O9S2 MolecularWeight: 612.47521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NN2C(=C(C(N2C3=CC=C(C=C3)S(=O)(=O)[O-])O)C4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N=NN2C(=C(C(N2C3=CC=C(C=C3)S(=O)(=O)[O-])O)C4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H18N4O9S2.3Na/c27-21-19(14-6-10-17(11-7-14)36(30,31)32)20(22(28)29)26(24-23-15-4-2-1-3-5-15)25(21)16-8-12-18(13-9-16)37(33,34)35;;;/h1-13,21,27H,(H,28,29)(H,30,31,32)(H,33,34,35);;;/q;3*+1/p-3