zinc 5,15-bis(3,5-ditert-butylphenyl)-10-(4-iodophenyl)porphyrin-22,24-diide

Systemtic Name: zinc 5,15-bis(3,5-ditert-butylphenyl)-10-(4-iodophenyl)porphyrin-22,24-diide Openeye Name: zinc 5,15-bis(3,5-ditert-butylphenyl)-10-(4-iodophenyl)porphyrin-22,24-diide CAS Name: zinc 5,15-bis(3,5-ditert-butylphenyl)-10-(4-iodophenyl)porphyrin-22,24-diide IUPAC Name: zinc 5,15-bis(3,5-ditert-butylphenyl)-10-(4-iodophenyl)porphyrin-22,24-diide Traditional Name: zinc 5,15-bis(3,5-ditert-butylphenyl)-10-(4-iodophenyl)porphine-22,24-diide Formula: C54H55IN4Zn MolecularWeight: 952.35477

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)I)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C=C4)[N-]3)C(C)(C)C.[Zn+2]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)I)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C=C4)[N-]3)C(C)(C)C.[Zn+2]

InChI

InChI=1S/C54H55IN4.Zn/c1-51(2,3)35-25-33(26-36(29-35)52(4,5)6)49-42-19-17-40(56-42)31-41-18-20-43(57-41)50(34-27-37(53(7,8)9)30-38(28-34)54(10,11)12)47-24-22-45(59-47)48(44-21-23-46(49)58-44)32-13-15-39(55)16-14-32;/h13-31H,1-12H3;/q-2;+2