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zinc 5,15-bis(4-methylphenyl)-10-(4-prop-2-enylphenyl)-20-(2,4,6-triethylphenyl)porphyrin-21,24-diide

zinc 5,15-bis(4-methylphenyl)-10-(4-prop-2-enylphenyl)-20-(2,4,6-triethylphenyl)porphyrin-21,24-diide

Systemtic Name:zinc 5,15-bis(4-methylphenyl)-10-(4-prop-2-enylphenyl)-20-(2,4,6-triethylphenyl)porphyrin-21,24-diide
Openeye Name:zinc 5-(4-allylphenyl)-10,20-bis(p-tolyl)-15-(2,4,6-triethylphenyl)porphyrin-23,24-diide
CAS Name:zinc 5,15-bis(4-methylphenyl)-10-(4-prop-2-enylphenyl)-20-(2,4,6-triethylphenyl)porphyrin-21,24-diide
IUPAC Name:zinc 5,15-bis(4-methylphenyl)-10-(4-prop-2-enylphenyl)-20-(2,4,6-triethylphenyl)porphyrin-21,24-diide
Traditional Name:zinc 5-(4-allylphenyl)-10,20-bis(p-tolyl)-15-(2,4,6-triethylphenyl)porphine-23,24-diide
Formula: C55H48N4Zn
MolecularWeight: 830.40542
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)CC)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)C)C=C5)C8=CC=C(C=C8)CC=C)C=C4)C9=CC=C(C=C9)C)[N-]3)CC.[Zn+2]


Isomeric SMILES

CCC1=CC(=C(C(=C1)CC)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)C)C=C5)C8=CC=C(C=C8)CC=C)C=C4)C9=CC=C(C=C9)C)[N-]3)CC.[Zn+2]


InChI

InChI=1S/C55H48N4.Zn/c1-7-11-37-16-22-42(23-17-37)54-45-26-24-43(56-45)52(40-18-12-34(5)13-19-40)47-28-30-49(58-47)55(51-38(9-3)32-36(8-2)33-39(51)10-4)50-31-29-48(59-50)53(44-25-27-46(54)57-44)41-20-14-35(6)15-21-41;/h7,12-33H,1,8-11H2,2-6H3;/q-2;+2


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