zinc 5,15-bis[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diide

Systemtic Name: zinc 5,15-bis[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diide Openeye Name: zinc 5,15-bis[4-(1,1-diallylbut-3-enyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diide CAS Name: zinc 5,15-bis[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diide IUPAC Name: zinc 5,15-bis[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diide Traditional Name: zinc 5,15-bis[4-(1,1-diallylbut-3-enyl)phenyl]-10,20-dimesityl-porphine-22,23-diide Formula: C70H68N4Zn MolecularWeight: 1030.72472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)C(CC=C)(CC=C)CC=C)C=C5)C8=C(C=C(C=C8C)C)C)C=C4)C9=CC=C(C=C9)C(CC=C)(CC=C)CC=C)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)C(CC=C)(CC=C)CC=C)C=C5)C8=C(C=C(C=C8C)C)C)C=C4)C9=CC=C(C=C9)C(CC=C)(CC=C)CC=C)[N-]3)C.[Zn+2]

InChI

InChI=1S/C70H68N4.Zn/c1-13-35-69(36-14-2,37-15-3)53-23-19-51(20-24-53)65-55-27-31-59(71-55)67(63-47(9)41-45(7)42-48(63)10)61-33-29-57(73-61)66(52-21-25-54(26-22-52)70(38-16-4,39-17-5)40-18-6)58-30-34-62(74-58)68(60-32-28-56(65)72-60)64-49(11)43-46(8)44-50(64)12;/h13-34,41-44H,1-6,35-40H2,7-12H3;/q-2;+2