zinc 5-(2-bromanylpyridin-4-yl)-10,15,20-triheptyl-porphyrin-23,24-diide

Systemtic Name: zinc 5-(2-bromanylpyridin-4-yl)-10,15,20-triheptyl-porphyrin-23,24-diide Openeye Name: zinc 5-(2-bromo-4-pyridyl)-10,15,20-triheptyl-porphyrin-23,24-diide CAS Name: zinc 5-(2-bromo-4-pyridinyl)-10,15,20-triheptylporphyrin-23,24-diide IUPAC Name: zinc 5-(2-bromopyridin-4-yl)-10,15,20-triheptylporphyrin-23,24-diide Traditional Name: zinc 5-(2-bromo-4-pyridyl)-10,15,20-triheptyl-porphine-23,24-diide Formula: C46H56BrN5Zn MolecularWeight: 824.28334

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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)Br)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)Br)CCCCCCC)CCCCCCC)[N-]2.[Zn+2]

InChI

InChI=1S/C46H56BrN5.Zn/c1-4-7-10-13-16-19-34-37-22-24-39(49-37)35(20-17-14-11-8-5-2)41-26-28-43(51-41)46(33-30-31-48-45(47)32-33)44-29-27-42(52-44)36(21-18-15-12-9-6-3)40-25-23-38(34)50-40;/h22-32H,4-21H2,1-3H3;/q-2;+2