3-oxidanidyl-5,7-bis(triphenylphosphaniumyl)-2,1,3-benzoxadiazol-3-ium-4,6-diolate

Systemtic Name: 3-oxidanidyl-5,7-bis(triphenylphosphaniumyl)-2,1,3-benzoxadiazol-3-ium-4,6-diolate Openeye Name: 3-oxido-5,7-bis(triphenylphosphaniumyl)-2,1,3-benzoxadiazol-3-ium-4,6-diolate CAS Name: 3-oxido-5,7-bis(triphenylphosphiniumyl)-2,1,3-benzoxadiazol-3-ium-4,6-diolate IUPAC Name: 3-oxido-5,7-bis(triphenylphosphaniumyl)-2,1,3-benzoxadiazol-3-ium-4,6-diolate Traditional Name: 3-oxido-5,7-bis(triphenylphosphiniumyl)benzofurazan-3-ium-4,6-diolate Formula: C42H30N2O4P2 MolecularWeight: 688.646122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(C(=C(C5=[N+](ON=C45)[O-])[O-])[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(C(=C(C5=[N+](ON=C45)[O-])[O-])[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)[O-]

InChI

InChI=1S/C42H30N2O4P2/c45-39-38-37(43-48-44(38)47)41(49(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)40(46)42(39)50(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H