2,2',2'',2'''-[5,10,15,20-Porphyrintetrayltetrakis(4,1-Phenyleneoxy)]Tetraacetic Acid
[CAS# 127812-08-2]

Identification

• Name: 2,2',2'',2'''-[5,10,15,20-Porphyrintetrayltetrakis(4,1-Phenyleneoxy)]Tetraacetic Acid
• Synonyms: 5,10,15,20-Tetrakis(4-carboxymethyloxyphenyl)-21H,23H-porphine; 5,10,15,20-Tetrakis(4-carboxymethyloxyphenyl)porphyrin
• Molecular Formula: C₅₂H₃₈N₄O₁₂
• Molecular Weight: 910.88
• CAS Registry Number: 127812-08-2
• SMILES: O=C(O)COc1ccc(cc1)c4c/9nc(c(c7nc(c(c\2nc(/C=C/2)c(c3ccc(OCC(=O)O)cc3)c5ccc4n5)c6ccc(OCC(=O)O)cc6)cc7)c8ccc(OCC(=O)O)cc8)\C=C\9
• InChI: 1S/C52H38N4O12/c57-45(58)25-65-33-9-1-29(2-10-33)49-37-17-19-39(53-37)50(30-3-11-34(12-4-30)66-26-46(59)60)41-21-23-43(55-41)52(32-7-15-36(16-8-32)68-28-48(63)64)44-24-22-42(56-44)51(40-20-18-38(49)54-40)31-5-13-35(14-6-31)67-27-47(61)62/h1-24,53,56H,25-28H2,(H,57,58)(H,59,60)(H,61,62)(H,63,64)/b49-37-,49-38-,50-39-,50-41-,51-40-,51-42-,52-43-,52-44-
• InChIKey: GIHZJFIAJYZVFA-QURNHSOUSA-N

Properties

• Density: 1.444g/cm³ (Cal.)
• Refractive index: 1.687 (Cal.)