zinc 5,10,15-tris(4-methylphenyl)-20-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-22,24-diide

Systemtic Name: zinc 5,10,15-tris(4-methylphenyl)-20-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-22,24-diide Openeye Name: zinc 5-[4-(1,1-diallylbut-3-enyl)phenyl]-10,15,20-tris(p-tolyl)porphyrin-22,24-diide CAS Name: zinc 5,10,15-tris(4-methylphenyl)-20-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-22,24-diide IUPAC Name: zinc 5,10,15-tris(4-methylphenyl)-20-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-22,24-diide Traditional Name: zinc 5-[4-(1,1-diallylbut-3-enyl)phenyl]-10,15,20-tris(p-tolyl)porphine-22,24-diide Formula: C57H48N4Zn MolecularWeight: 854.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C(CC=C)(CC=C)CC=C)C=C4)C9=CC=C(C=C9)C)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C(CC=C)(CC=C)CC=C)C=C4)C9=CC=C(C=C9)C)[N-]3.[Zn+2]

InChI

InChI=1S/C57H48N4.Zn/c1-7-34-57(35-8-2,36-9-3)44-24-22-43(23-25-44)56-51-32-30-49(60-51)54(41-18-12-38(5)13-19-41)47-28-26-45(58-47)53(40-16-10-37(4)11-17-40)46-27-29-48(59-46)55(50-31-33-52(56)61-50)42-20-14-39(6)15-21-42;/h7-33H,1-3,34-36H2,4-6H3;/q-2;+2