trisodium 4-[5-oxidanidyl-4-[(1E,3Z,5E)-5-[5-oxidanylidene-3-propyl-1-(4-sulfonatophenyl)pyrazol-4-ylidene]-3-phenyl-penta-1,3-dienyl]-3-propyl-pyrazol-1-yl]benzenesulfonate

Systemtic Name: trisodium 4-[5-oxidanidyl-4-[(1E,3Z,5E)-5-[5-oxidanylidene-3-propyl-1-(4-sulfonatophenyl)pyrazol-4-ylidene]-3-phenyl-penta-1,3-dienyl]-3-propyl-pyrazol-1-yl]benzenesulfonate Openeye Name: trisodium 4-[5-oxido-4-[(1E,3Z,5E)-5-[5-oxo-3-propyl-1-(4-sulfonatophenyl)pyrazol-4-ylidene]-3-phenyl-penta-1,3-dienyl]-3-propyl-pyrazol-1-yl]benzenesulfonate CAS Name: trisodium 4-[5-oxido-4-[(1E,3Z,5E)-5-[5-oxo-3-propyl-1-(4-sulfonatophenyl)-4-pyrazolylidene]-3-phenylpenta-1,3-dienyl]-3-propyl-1-pyrazolyl]benzenesulfonate IUPAC Name: trisodium 4-[5-oxido-4-[(1E,3Z,5E)-5-[5-oxo-3-propyl-1-(4-sulfonatophenyl)pyrazol-4-ylidene]-3-phenylpenta-1,3-dienyl]-3-propylpyrazol-1-yl]benzenesulfonate Traditional Name: trisodium 4-[4-[(1E,3Z,5E)-5-[5-keto-3-propyl-1-(4-sulfonatophenyl)-2-pyrazolin-4-ylidene]-3-phenyl-penta-1,3-dienyl]-5-oxido-3-propyl-pyrazol-1-yl]besylate Formula: C35H31N4Na3O8S2 MolecularWeight: 768.74195

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C=CC(=CC=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])CCC)C4=CC=CC=C4)[O-])C5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCC1=NN(C(=C1/C=C/C(=C/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])CCC)/C4=CC=CC=C4)[O-])C5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C35H34N4O8S2.3Na/c1-3-8-32-30(34(40)38(36-32)26-14-18-28(19-15-26)48(42,43)44)22-12-25(24-10-6-5-7-11-24)13-23-31-33(9-4-2)37-39(35(31)41)27-16-20-29(21-17-27)49(45,46)47;;;/h5-7,10-23,40H,3-4,8-9H2,1-2H3,(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3/b22-12+,25-13-,31-23+;;;