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zinc [4-[15-[4-(hydroxymethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]phenyl]methanol

zinc [4-[15-[4-(hydroxymethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]phenyl]methanol

Systemtic Name:zinc [4-[15-[4-(hydroxymethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]phenyl]methanol
Openeye Name:zinc [4-[15-[4-(hydroxymethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]phenyl]methanol
CAS Name:zinc [4-[15-[4-(hydroxymethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)-5-porphyrin-22,23-diidyl]phenyl]methanol
IUPAC Name:zinc [4-[15-[4-(hydroxymethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]phenyl]methanol
Traditional Name:zinc [4-[10,20-dimesityl-15-(4-methylolphenyl)porphine-22,23-diid-5-yl]phenyl]methanol
Formula: C52H44N4O2Zn
MolecularWeight: 822.34036
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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)C7=CC=C(C=C7)CO)C=C5)C8=C(C=C(C=C8C)C)C)C=C4)C9=CC=C(C=C9)CO)[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)C7=CC=C(C=C7)CO)C=C5)C8=C(C=C(C=C8C)C)C)C=C4)C9=CC=C(C=C9)CO)[N-]3)C.[Zn+2]


InChI

InChI=1S/C52H44N4O2.Zn/c1-29-23-31(3)47(32(4)24-29)51-43-19-15-39(53-43)49(37-11-7-35(27-57)8-12-37)41-17-21-45(55-41)52(48-33(5)25-30(2)26-34(48)6)46-22-18-42(56-46)50(40-16-20-44(51)54-40)38-13-9-36(28-58)10-14-38;/h7-26,57-58H,27-28H2,1-6H3;/q-2;+2


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