zinc 5,15-bis[4-(3-bromanylpropoxy)phenyl]porphyrin-21,22-diide

Systemtic Name: zinc 5,15-bis[4-(3-bromanylpropoxy)phenyl]porphyrin-21,22-diide Openeye Name: zinc 5,15-bis[4-(3-bromopropoxy)phenyl]porphyrin-21,22-diide CAS Name: zinc 5,15-bis[4-(3-bromopropoxy)phenyl]porphyrin-21,22-diide IUPAC Name: zinc 5,15-bis[4-(3-bromopropoxy)phenyl]porphyrin-21,22-diide Traditional Name: zinc 5,15-bis[4-(3-bromopropoxy)phenyl]porphine-21,22-diide Formula: C38H30Br2N4O2Zn MolecularWeight: 799.8874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2[N-]6)C=C5)C7=CC=C(C=C7)OCCCBr)C=C4)[N-]3)OCCCBr.[Zn+2]

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2[N-]6)C=C5)C7=CC=C(C=C7)OCCCBr)C=C4)[N-]3)OCCCBr.[Zn+2]

InChI

InChI=1S/C38H30Br2N4O2.Zn/c39-19-1-21-45-31-11-3-25(4-12-31)37-33-15-7-27(41-33)23-29-9-17-35(43-29)38(26-5-13-32(14-6-26)46-22-2-20-40)36-18-10-30(44-36)24-28-8-16-34(37)42-28;/h3-18,23-24H,1-2,19-22H2;/q-2;+2