zinc 4-[3-oxidanylidene-3-[4-oxidanylidene-4-[2-[3-(10,15,20-triphenylporphyrin-23,24-diid-5-yl)phenoxy]ethoxy]butoxy]propanoyl]oxybutanoic acid

Systemtic Name: zinc 4-[3-oxidanylidene-3-[4-oxidanylidene-4-[2-[3-(10,15,20-triphenylporphyrin-23,24-diid-5-yl)phenoxy]ethoxy]butoxy]propanoyl]oxybutanoic acid Openeye Name: zinc 4-[3-oxo-3-[4-oxo-4-[2-[3-(10,15,20-triphenylporphyrin-23,24-diid-5-yl)phenoxy]ethoxy]butoxy]propanoyl]oxybutanoic acid CAS Name: zinc 4-[1,3-dioxo-3-[4-oxo-4-[2-[3-(10,15,20-triphenyl-5-porphyrin-23,24-diidyl)phenoxy]ethoxy]butoxy]propoxy]butanoic acid IUPAC Name: zinc 4-[3-oxo-3-[4-oxo-4-[2-[3-(10,15,20-triphenylporphyrin-23,24-diid-5-yl)phenoxy]ethoxy]butoxy]propanoyl]oxybutanoic acid Traditional Name: zinc 4-[3-keto-3-[4-keto-4-[2-[3-(10,15,20-triphenylporphine-23,24-diid-5-yl)phenoxy]ethoxy]butoxy]propanoyl]oxybutyric acid Formula: C57H46N4O9Zn MolecularWeight: 996.40554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)OCCOC(=O)CCCOC(=O)CC(=O)OCCCC(=O)O)C8=CC=CC=C8)C9=CC=CC=C9)[N-]3.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)OCCOC(=O)CCCOC(=O)CC(=O)OCCCC(=O)O)C8=CC=CC=C8)C9=CC=CC=C9)[N-]3.[Zn+2]

InChI

InChI=1S/C57H47N4O9.Zn/c62-50(63)21-11-31-68-52(65)36-53(66)69-32-12-22-51(64)70-34-33-67-41-20-10-19-40(35-41)57-48-29-27-46(60-48)55(38-15-6-2-7-16-38)44-25-23-42(58-44)54(37-13-4-1-5-14-37)43-24-26-45(59-43)56(39-17-8-3-9-18-39)47-28-30-49(57)61-47;/h1-10,13-20,23-30,35H,11-12,21-22,31-34,36H2,(H2-,58,59,60,61,62,63);/q-1;+2/p-1