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zinc O1-methyl O3-[2-[4-(10,15,20-triphenylporphyrin-21,22-diid-5-yl)phenoxy]ethyl] propanedioate

zinc O1-methyl O3-[2-[4-(10,15,20-triphenylporphyrin-21,22-diid-5-yl)phenoxy]ethyl] propanedioate

Systemtic Name:zinc O1-methyl O3-[2-[4-(10,15,20-triphenylporphyrin-21,22-diid-5-yl)phenoxy]ethyl] propanedioate
Openeye Name:zinc O1-methyl O3-[2-[4-(10,15,20-triphenylporphyrin-21,22-diid-5-yl)phenoxy]ethyl] propanedioate
CAS Name:zinc propanedioic acid O1-methyl ester O3-[2-[4-(10,15,20-triphenyl-5-porphyrin-21,22-diidyl)phenoxy]ethyl] ester
IUPAC Name:zinc 1-O-methyl 3-O-[2-[4-(10,15,20-triphenylporphyrin-21,22-diid-5-yl)phenoxy]ethyl] propanedioate
Traditional Name:zinc malonic acid O1-methyl ester O3-[2-[4-(10,15,20-triphenylporphine-21,22-diid-5-yl)phenoxy]ethyl] ester
Formula: C50H36N4O5Zn
MolecularWeight: 838.25364
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)OCCOC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[Zn+2]


Isomeric SMILES

COC(=O)CC(=O)OCCOC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[Zn+2]


InChI

InChI=1S/C50H36N4O5.Zn/c1-57-45(55)31-46(56)59-30-29-58-36-19-17-35(18-20-36)50-43-27-25-41(53-43)48(33-13-7-3-8-14-33)39-23-21-37(51-39)47(32-11-5-2-6-12-32)38-22-24-40(52-38)49(34-15-9-4-10-16-34)42-26-28-44(50)54-42;/h2-28H,29-31H2,1H3;/q-2;+2


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