zinc methyl 5-[10,15-bis(5-methoxy-5-oxidanylidene-pentyl)porphyrin-21,23-diid-5-yl]pentanoate

Systemtic Name: zinc methyl 5-[10,15-bis(5-methoxy-5-oxidanylidene-pentyl)porphyrin-21,23-diid-5-yl]pentanoate Openeye Name: zinc methyl 5-[10,15-bis(5-methoxy-5-oxo-pentyl)porphyrin-21,23-diid-5-yl]pentanoate CAS Name: zinc 5-[10,15-bis(5-methoxy-5-oxopentyl)-5-porphyrin-21,23-diidyl]pentanoic acid methyl ester IUPAC Name: zinc methyl 5-[10,15-bis(5-methoxy-5-oxopentyl)porphyrin-21,23-diid-5-yl]pentanoate Traditional Name: zinc 5-[10,15-bis(5-keto-5-methoxy-pentyl)porphine-21,23-diid-5-yl]valeric acid methyl ester Formula: C38H42N4O6Zn MolecularWeight: 716.17228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1=C2C=CC(=CC3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)CCCCC(=O)OC)CCCCC(=O)OC)C=C3)[N-]2.[Zn+2]

Isomeric SMILES

COC(=O)CCCCC1=C2C=CC(=CC3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)CCCCC(=O)OC)CCCCC(=O)OC)C=C3)[N-]2.[Zn+2]

InChI

InChI=1S/C38H42N4O6.Zn/c1-46-36(43)13-7-4-10-27-30-18-16-25(39-30)24-26-17-19-31(40-26)28(11-5-8-14-37(44)47-2)33-21-23-35(42-33)29(34-22-20-32(27)41-34)12-6-9-15-38(45)48-3;/h16-24H,4-15H2,1-3H3;/q-2;+2