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

Systemtic Name: zinc ethyl 4-[2-[15-[2,6-bis(4-ethoxy-4-oxidanylidene-butoxy)phenyl]-10-[3-(6-imidazol-1-ylhexoxy)-4-methyl-phenyl]porphyrin-21,23-diid-5-yl]-3-(4-ethoxy-4-oxidanylidene-butoxy)phenoxy]butanoate Openeye Name: zinc ethyl 4-[2-[15-[2,6-bis(4-ethoxy-4-oxo-butoxy)phenyl]-10-[3-(6-imidazol-1-ylhexoxy)-4-methyl-phenyl]porphyrin-21,23-diid-5-yl]-3-(4-ethoxy-4-oxo-butoxy)phenoxy]butanoate CAS Name: zinc 4-[2-[15-[2,6-bis(4-ethoxy-4-oxobutoxy)phenyl]-10-[3-[6-(1-imidazolyl)hexoxy]-4-methylphenyl]-5-porphyrin-21,23-diidyl]-3-(4-ethoxy-4-oxobutoxy)phenoxy]butanoic acid ethyl ester IUPAC Name: zinc ethyl 4-[2-[15-[2,6-bis(4-ethoxy-4-oxobutoxy)phenyl]-10-[3-(6-imidazol-1-ylhexoxy)-4-methylphenyl]porphyrin-21,23-diid-5-yl]-3-(4-ethoxy-4-oxobutoxy)phenoxy]butanoate Traditional Name: zinc 4-[2-[15-[2,6-bis(4-ethoxy-4-keto-butoxy)phenyl]-10-[3-(6-imidazol-1-ylhexoxy)-4-methyl-phenyl]porphine-21,23-diid-5-yl]-3-(4-ethoxy-4-keto-butoxy)phenoxy]butyric acid ethyl ester Formula: C72H80N6O13Zn MolecularWeight: 1302.847

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=C(C(=CC=C1)OCCCC(=O)OCC)C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC(=C(C=C7)C)OCCCCCCN8C=CN=C8)C9=C(C=CC=C9OCCCC(=O)OCC)OCCCC(=O)OCC)C=C4)[N-]3.[Zn+2]

Isomeric SMILES

CCOC(=O)CCCOC1=C(C(=CC=C1)OCCCC(=O)OCC)C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC(=C(C=C7)C)OCCCCCCN8C=CN=C8)C9=C(C=CC=C9OCCCC(=O)OCC)OCCCC(=O)OCC)C=C4)[N-]3.[Zn+2]

InChI

InChI=1S/C72H80N6O13.Zn/c1-6-83-64(79)24-16-42-87-59-20-14-21-60(88-43-17-25-65(80)84-7-2)71(59)69-55-32-30-51(74-55)47-52-31-33-56(75-52)70(72-61(89-44-18-26-66(81)85-8-3)22-15-23-62(72)90-45-19-27-67(82)86-9-4)58-37-35-54(77-58)68(53-34-36-57(69)76-53)50-29-28-49(5)63(46-50)91-41-13-11-10-12-39-78-40-38-73-48-78;/h14-15,20-23,28-38,40,46-48H,6-13,16-19,24-27,39,41-45H2,1-5H3;/q-2;+2