2-(4-methoxyphenyl)-7H-benzo[e][1,3]benzoxazol-7-ide; palladium(2+); diethanoate

Systemtic Name: 2-(4-methoxyphenyl)-7H-benzo[e][1,3]benzoxazol-7-ide; palladium(2+); diethanoate Openeye Name: 2-(4-methoxyphenyl)-7H-benzo[e][1,3]benzoxazol-7-ide; palladium(2+); diacetate CAS Name: 2-(4-methoxyphenyl)-7H-benzo[e][1,3]benzoxazol-7-ide; palladium(2+); diacetate IUPAC Name: 2-(4-methoxyphenyl)-7H-benzo[e][1,3]benzoxazol-7-ide; palladium(2+); diacetate Traditional Name: 2-(4-methoxyphenyl)-7H-benzo[e][1,3]benzoxazol-7-ide; palladium(2+); diacetate Formula: C40H30N2O8Pd2 MolecularWeight: 879.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC4=C[C-]=CC=C43.COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC4=C[C-]=CC=C43.[Pd+2].[Pd+2]

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC4=C[C-]=CC=C43.COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC4=C[C-]=CC=C43.[Pd+2].[Pd+2]

InChI

InChI=1S/2C18H12NO2.2C2H4O2.2Pd/c2*1-20-14-9-6-13(7-10-14)18-19-17-15-5-3-2-4-12(15)8-11-16(17)21-18;2*1-2(3)4;;/h2*3-11H,1H3;2*1H3,(H,3,4);;/q2*-1;;;2*+2/p-2