zinc 5,15-bis(3,5-ditert-butylphenyl)-2,18-bis(ethenyl)-10-(2,4,6-trimethylphenyl)porphyrin-22,23-diide

Systemtic Name: zinc 5,15-bis(3,5-ditert-butylphenyl)-2,18-bis(ethenyl)-10-(2,4,6-trimethylphenyl)porphyrin-22,23-diide Openeye Name: zinc 5,15-bis(3,5-ditert-butylphenyl)-10-(2,4,6-trimethylphenyl)-2,18-divinyl-porphyrin-22,23-diide CAS Name: zinc 5,15-bis(3,5-ditert-butylphenyl)-2,18-bis(ethenyl)-10-(2,4,6-trimethylphenyl)porphyrin-22,23-diide IUPAC Name: zinc 5,15-bis(3,5-ditert-butylphenyl)-2,18-bis(ethenyl)-10-(2,4,6-trimethylphenyl)porphyrin-22,23-diide Traditional Name: zinc 5,15-bis(3,5-ditert-butylphenyl)-10-mesityl-2,18-divinyl-porphine-22,23-diide Formula: C61H66N4Zn MolecularWeight: 920.61254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C=C5C=C)C(=C4)C=C)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C=C5C=C)C(=C4)C=C)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)[N-]3)C.[Zn+2]

InChI

InChI=1S/C61H66N4.Zn/c1-18-38-30-52-55(40-26-42(58(6,7)8)32-43(27-40)59(9,10)11)46-20-22-48(62-46)57(54-36(4)24-35(3)25-37(54)5)49-23-21-47(63-49)56(53-31-39(19-2)51(65-53)34-50(38)64-52)41-28-44(60(12,13)14)33-45(29-41)61(15,16)17;/h18-34H,1-2H2,3-17H3;/q-2;+2