zinc 5,10,15,20-tetrakis(8-methoxynaphthalen-1-yl)porphyrin-22,24-diide

Systemtic Name: zinc 5,10,15,20-tetrakis(8-methoxynaphthalen-1-yl)porphyrin-22,24-diide Openeye Name: zinc 5,10,15,20-tetrakis(8-methoxy-1-naphthyl)porphyrin-22,24-diide CAS Name: zinc 5,10,15,20-tetrakis(8-methoxy-1-naphthalenyl)porphyrin-22,24-diide IUPAC Name: zinc 5,10,15,20-tetrakis(8-methoxynaphthalen-1-yl)porphyrin-22,24-diide Traditional Name: zinc 5,10,15,20-tetrakis(8-methoxy-1-naphthyl)porphine-22,24-diide Formula: C64H44N4O4Zn MolecularWeight: 998.46756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=CC=C2)C3=C4C=CC(=C(C5=NC(=C(C6=CC=C([N-]6)C(=C7C=CC3=N7)C8=CC=CC9=C8C(=CC=C9)OC)C1=CC=CC2=C1C(=CC=C2)OC)C=C5)C1=CC=CC2=C1C(=CC=C2)OC)[N-]4.[Zn+2]

Isomeric SMILES

COC1=CC=CC2=C1C(=CC=C2)C3=C4C=CC(=C(C5=NC(=C(C6=CC=C([N-]6)C(=C7C=CC3=N7)C8=CC=CC9=C8C(=CC=C9)OC)C1=CC=CC2=C1C(=CC=C2)OC)C=C5)C1=CC=CC2=C1C(=CC=C2)OC)[N-]4.[Zn+2]

InChI

InChI=1S/C64H44N4O4.Zn/c1-69-53-25-9-17-37-13-5-21-41(57(37)53)61-45-29-31-47(65-45)62(42-22-6-14-38-18-10-26-54(70-2)58(38)42)49-33-35-51(67-49)64(44-24-8-16-40-20-12-28-56(72-4)60(40)44)52-36-34-50(68-52)63(48-32-30-46(61)66-48)43-23-7-15-39-19-11-27-55(71-3)59(39)43;/h5-36H,1-4H3;/q-2;+2