zinc 5,15-bis[4-(2-piperidin-1-ylethoxy)phenyl]porphyrin-21,22-diide

Systemtic Name: zinc 5,15-bis[4-(2-piperidin-1-ylethoxy)phenyl]porphyrin-21,22-diide Openeye Name: zinc 5,15-bis[4-[2-(1-piperidyl)ethoxy]phenyl]porphyrin-21,22-diide CAS Name: zinc 5,15-bis[4-[2-(1-piperidinyl)ethoxy]phenyl]porphyrin-21,22-diide IUPAC Name: zinc 5,15-bis[4-(2-piperidin-1-ylethoxy)phenyl]porphyrin-21,22-diide Traditional Name: zinc 5,15-bis[4-(2-piperidinoethoxy)phenyl]porphine-21,22-diide Formula: C46H46N6O2Zn MolecularWeight: 780.30544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C3=C4C=CC(=CC5=NC(=C(C6=NC(=CC7=CC=C3[N-]7)C=C6)C8=CC=C(C=C8)OCCN9CCCCC9)C=C5)[N-]4.[Zn+2]

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C3=C4C=CC(=CC5=NC(=C(C6=NC(=CC7=CC=C3[N-]7)C=C6)C8=CC=C(C=C8)OCCN9CCCCC9)C=C5)[N-]4.[Zn+2]

InChI

InChI=1S/C46H46N6O2.Zn/c1-3-23-51(24-4-1)27-29-53-39-15-7-33(8-16-39)45-41-19-11-35(47-41)31-37-13-21-43(49-37)46(44-22-14-38(50-44)32-36-12-20-42(45)48-36)34-9-17-40(18-10-34)54-30-28-52-25-5-2-6-26-52;/h7-22,31-32H,1-6,23-30H2;/q-2;+2