zinc 5,15-dihexoxy-10,20-diphenyl-porphyrin-21,22-diide

Systemtic Name: zinc 5,15-dihexoxy-10,20-diphenyl-porphyrin-21,22-diide Openeye Name: zinc 5,15-dihexoxy-10,20-diphenyl-porphyrin-21,22-diide CAS Name: zinc 5,15-dihexoxy-10,20-diphenylporphyrin-21,22-diide IUPAC Name: zinc 5,15-dihexoxy-10,20-diphenylporphyrin-21,22-diide Traditional Name: zinc 5,15-dihexoxy-10,20-diphenyl-porphine-21,22-diide Formula: C44H44N4O2Zn MolecularWeight: 726.25476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)OCCCCCC)C=C3)C7=CC=CC=C7)[N-]2.[Zn+2]

Isomeric SMILES

CCCCCCOC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)OCCCCCC)C=C3)C7=CC=CC=C7)[N-]2.[Zn+2]

InChI

InChI=1S/C44H44N4O2.Zn/c1-3-5-7-15-29-49-43-37-25-21-33(45-37)41(31-17-11-9-12-18-31)35-23-27-39(47-35)44(50-30-16-8-6-4-2)40-28-24-36(48-40)42(32-19-13-10-14-20-32)34-22-26-38(43)46-34;/h9-14,17-28H,3-8,15-16,29-30H2,1-2H3;/q-2;+2