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zinc 5,10,15-tris(4-methylphenyl)-20-(4-prop-2-enylphenyl)porphyrin-22,23-diide

zinc 5,10,15-tris(4-methylphenyl)-20-(4-prop-2-enylphenyl)porphyrin-22,23-diide

Systemtic Name:zinc 5,10,15-tris(4-methylphenyl)-20-(4-prop-2-enylphenyl)porphyrin-22,23-diide
Openeye Name:zinc 5-(4-allylphenyl)-10,15,20-tris(p-tolyl)porphyrin-23,24-diide
CAS Name:zinc 5,10,15-tris(4-methylphenyl)-20-(4-prop-2-enylphenyl)porphyrin-22,23-diide
IUPAC Name:zinc 5,10,15-tris(4-methylphenyl)-20-(4-prop-2-enylphenyl)porphyrin-22,23-diide
Traditional Name:zinc 5-(4-allylphenyl)-10,15,20-tris(p-tolyl)porphine-23,24-diide
Formula: C50H38N4Zn
MolecularWeight: 760.27252
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)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=CC=C(C=C8)C)C9=CC=C(C=C9)C)[N-]3.[Zn+2]


Isomeric SMILES

CC1=CC=C(C=C1)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=CC=C(C=C8)C)C9=CC=C(C=C9)C)[N-]3.[Zn+2]


InChI

InChI=1S/C50H38N4.Zn/c1-5-6-34-13-21-38(22-14-34)50-45-29-27-43(53-45)48(36-17-9-32(3)10-18-36)41-25-23-39(51-41)47(35-15-7-31(2)8-16-35)40-24-26-42(52-40)49(44-28-30-46(50)54-44)37-19-11-33(4)12-20-37;/h5,7-30H,1,6H2,2-4H3;/q-2;+2


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