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zinc 5,15-dimethyl-10-(4-prop-2-enylphenyl)-20-(2,4,6-trimethylphenyl)porphyrin-21,24-diide

zinc 5,15-dimethyl-10-(4-prop-2-enylphenyl)-20-(2,4,6-trimethylphenyl)porphyrin-21,24-diide

Systemtic Name:zinc 5,15-dimethyl-10-(4-prop-2-enylphenyl)-20-(2,4,6-trimethylphenyl)porphyrin-21,24-diide
Openeye Name:zinc 5-(4-allylphenyl)-10,20-dimethyl-15-(2,4,6-trimethylphenyl)porphyrin-23,24-diide
CAS Name:zinc 5,15-dimethyl-10-(4-prop-2-enylphenyl)-20-(2,4,6-trimethylphenyl)porphyrin-21,24-diide
IUPAC Name:zinc 5,15-dimethyl-10-(4-prop-2-enylphenyl)-20-(2,4,6-trimethylphenyl)porphyrin-21,24-diide
Traditional Name:zinc 5-(4-allylphenyl)-15-mesityl-10,20-dimethyl-porphine-23,24-diide
Formula: C40H34N4Zn
MolecularWeight: 636.13376
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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)C)C=C5)C7=CC=C(C=C7)CC=C)C=C4)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)C)C=C5)C7=CC=C(C=C7)CC=C)C=C4)C)[N-]3)C.[Zn+2]


InChI

InChI=1S/C40H34N4.Zn/c1-7-8-28-9-11-29(12-10-28)39-34-17-13-30(41-34)26(5)32-15-19-36(43-32)40(38-24(3)21-23(2)22-25(38)4)37-20-16-33(44-37)27(6)31-14-18-35(39)42-31;/h7,9-22H,1,8H2,2-6H3;/q-2;+2


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