zinc 3-methoxy-5,10,15,20-tetraphenyl-3H-porphyrin-24-id-2-olate

Systemtic Name: zinc 3-methoxy-5,10,15,20-tetraphenyl-3H-porphyrin-24-id-2-olate Openeye Name: zinc 3-methoxy-5,10,15,20-tetraphenyl-3H-porphyrin-24-id-2-olate CAS Name: zinc 3-methoxy-5,10,15,20-tetraphenyl-3H-porphyrin-24-id-2-olate IUPAC Name: zinc 3-methoxy-5,10,15,20-tetraphenyl-3H-porphyrin-24-id-2-olate Traditional Name: zinc 3-methoxy-5,10,15,20-tetraphenyl-3H-porphin-24-id-2-olate Formula: C45H30N4O2Zn MolecularWeight: 724.1543

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(=C2C(=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C1=N2)C6=CC=CC=C6)C=C5)C7=CC=CC=C7)C=C4)C8=CC=CC=C8)[N-]3)C9=CC=CC=C9)[O-].[Zn+2]

Isomeric SMILES

COC1C(=C2C(=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C1=N2)C6=CC=CC=C6)C=C5)C7=CC=CC=C7)C=C4)C8=CC=CC=C8)[N-]3)C9=CC=CC=C9)[O-].[Zn+2]

InChI

InChI=1S/C45H31N4O2.Zn/c1-51-45-43-41(31-20-12-5-13-21-31)37-27-25-35(48-37)39(29-16-8-3-9-17-29)33-23-22-32(46-33)38(28-14-6-2-7-15-28)34-24-26-36(47-34)40(42(49-43)44(45)50)30-18-10-4-11-19-30;/h2-27,45H,1H3,(H-,46,47,48,49,50);/q-1;+2/p-1