zinc 4-[2-[15-[2,6-bis(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-10-[3-(6-imidazol-1-ylhexoxy)-4-methyl-phenyl]porphyrin-21,23-diid-5-yl]-3-(4-oxidanyl-4-oxidanylidene-butoxy)phenoxy]butanoic acid

Systemtic Name: zinc 4-[2-[15-[2,6-bis(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-10-[3-(6-imidazol-1-ylhexoxy)-4-methyl-phenyl]porphyrin-21,23-diid-5-yl]-3-(4-oxidanyl-4-oxidanylidene-butoxy)phenoxy]butanoic acid Openeye Name: zinc 4-[2-[15-[2,6-bis(4-hydroxy-4-oxo-butoxy)phenyl]-10-[3-(6-imidazol-1-ylhexoxy)-4-methyl-phenyl]porphyrin-21,23-diid-5-yl]-3-(4-hydroxy-4-oxo-butoxy)phenoxy]butanoic acid CAS Name: zinc 4-[2-[15-[2,6-bis(4-hydroxy-4-oxobutoxy)phenyl]-10-[3-[6-(1-imidazolyl)hexoxy]-4-methylphenyl]-5-porphyrin-21,23-diidyl]-3-(4-hydroxy-4-oxobutoxy)phenoxy]butanoic acid IUPAC Name: zinc 4-[2-[15-[2,6-bis(4-hydroxy-4-oxobutoxy)phenyl]-10-[3-(6-imidazol-1-ylhexoxy)-4-methylphenyl]porphyrin-21,23-diid-5-yl]-3-(4-hydroxy-4-oxobutoxy)phenoxy]butanoic acid Traditional Name: zinc 4-[2-[15-[2,6-bis(4-hydroxy-4-keto-butoxy)phenyl]-10-[3-(6-imidazol-1-ylhexoxy)-4-methyl-phenyl]porphine-21,23-diid-5-yl]-3-(4-hydroxy-4-keto-butoxy)phenoxy]butyric acid Formula: C64H64N6O13Zn MolecularWeight: 1190.63436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=C(C=CC=C7OCCCC(=O)O)OCCCC(=O)O)C=C5)[N-]4)C8=C(C=CC=C8OCCCC(=O)O)OCCCC(=O)O)OCCCCCCN9C=CN=C9.[Zn+2]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=C(C=CC=C7OCCCC(=O)O)OCCCC(=O)O)C=C5)[N-]4)C8=C(C=CC=C8OCCCC(=O)O)OCCCC(=O)O)OCCCCCCN9C=CN=C9.[Zn+2]

InChI

InChI=1S/C64H66N6O13.Zn/c1-41-20-21-42(38-55(41)83-33-5-3-2-4-31-70-32-30-65-40-70)60-45-26-28-49(68-45)61(63-51(79-34-8-16-56(71)72)12-6-13-52(63)80-35-9-17-57(73)74)47-24-22-43(66-47)39-44-23-25-48(67-44)62(50-29-27-46(60)69-50)64-53(81-36-10-18-58(75)76)14-7-15-54(64)82-37-11-19-59(77)78;/h6-7,12-15,20-30,32,38-40H,2-5,8-11,16-19,31,33-37H2,1H3,(H6,66,67,68,69,71,72,73,74,75,76,77,78);/q;+2/p-2