copper; 6-phenyldiazenylchrysen-5-olate; 6-phenyldiazenyl-5,6-dihydrochrysen-5-olate

Systemtic Name: copper; 6-phenyldiazenylchrysen-5-olate; 6-phenyldiazenyl-5,6-dihydrochrysen-5-olate Openeye Name: copper; 6-phenylazochrysen-5-olate; 6-phenylazo-5,6-dihydrochrysen-5-olate CAS Name: copper; 6-phenyldiazenyl-5-chrysenolate; 6-phenyldiazenyl-5,6-dihydrochrysen-5-olate IUPAC Name: copper; 6-phenyldiazenylchrysen-5-olate; 6-phenyldiazenyl-5,6-dihydrochrysen-5-olate Traditional Name: cupric; 6-phenylazochrysen-5-olate; 6-phenylazo-5,6-dihydrochrysen-5-olate Formula: C48H32CuN4O2 MolecularWeight: 760.33928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2C(C3=C(C=CC4=CC=CC=C43)C5=CC=CC=C25)[O-].C1=CC=C(C=C1)N=NC2=C(C3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52)[O-].[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2C(C3=C(C=CC4=CC=CC=C43)C5=CC=CC=C25)[O-].C1=CC=C(C=C1)N=NC2=C(C3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52)[O-].[Cu+2]

InChI

InChI=1S/C24H17N2O.C24H16N2O.Cu/c2*27-24-22-18-11-5-4-8-16(18)14-15-20(22)19-12-6-7-13-21(19)23(24)26-25-17-9-2-1-3-10-17;/h1-15,23-24H;1-15,27H;/q-1;;+2/p-1