zinc 5-(4-prop-2-enylphenyl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diide

Systemtic Name: zinc 5-(4-prop-2-enylphenyl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diide Openeye Name: zinc 5-(4-allylphenyl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diide CAS Name: zinc 5-(4-prop-2-enylphenyl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diide IUPAC Name: zinc 5-(4-prop-2-enylphenyl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diide Traditional Name: zinc 5-(4-allylphenyl)-10,15,20-trimesityl-porphine-23,24-diide Formula: C56H50N4Zn MolecularWeight: 844.432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CC=C)C8=C(C=C(C=C8C)C)C)C9=C(C=C(C=C9C)C)C)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CC=C)C8=C(C=C(C=C8C)C)C)C9=C(C=C(C=C9C)C)C)[N-]3)C.[Zn+2]

InChI

InChI=1S/C56H50N4.Zn/c1-11-12-40-13-15-41(16-14-40)53-42-17-19-44(57-42)54(50-34(5)25-31(2)26-35(50)6)46-21-23-48(59-46)56(52-38(9)29-33(4)30-39(52)10)49-24-22-47(60-49)55(45-20-18-43(53)58-45)51-36(7)27-32(3)28-37(51)8;/h11,13-30H,1,12H2,2-10H3;/q-2;+2