zinc 5,10,15-triheptyl-20-pyridin-4-yl-porphyrin-22,23-diide

Systemtic Name: zinc 5,10,15-triheptyl-20-pyridin-4-yl-porphyrin-22,23-diide Openeye Name: zinc 5,10,15-triheptyl-20-(4-pyridyl)porphyrin-22,23-diide CAS Name: zinc 5,10,15-triheptyl-20-pyridin-4-ylporphyrin-22,23-diide IUPAC Name: zinc 5,10,15-triheptyl-20-pyridin-4-ylporphyrin-22,23-diide Traditional Name: zinc 5,10,15-triheptyl-20-(4-pyridyl)porphine-22,23-diide Formula: C46H57N5Zn MolecularWeight: 745.38728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=CC=NC=C6)CCCCCCC)CCCCCCC)[N-]2.[Zn+2]

Isomeric SMILES

CCCCCCCC1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=CC=NC=C6)CCCCCCC)CCCCCCC)[N-]2.[Zn+2]

InChI

InChI=1S/C46H57N5.Zn/c1-4-7-10-13-16-19-35-38-22-24-40(48-38)36(20-17-14-11-8-5-2)42-26-28-44(50-42)46(34-30-32-47-33-31-34)45-29-27-43(51-45)37(21-18-15-12-9-6-3)41-25-23-39(35)49-41;/h22-33H,4-21H2,1-3H3;/q-2;+2