3,3',3'',3'''-[3,8,13,17-Tetrakis(Carboxymethyl)-2,7,12,18-Porphyrintetrayl]Tetrapropanoic Acid - Ethaneperoxoic Acid (1:1)
[CAS# 163894-02-8]

Identification

• Name: 3,3',3'',3'''-[3,8,13,17-Tetrakis(Carboxymethyl)-2,7,12,18-Porphyrintetrayl]Tetrapropanoic Acid - Ethaneperoxoic Acid (1:1)
• Synonyms: Peroxyacetic acid uroporphyrin III
• Molecular Formula: C₄₂H₄₂N₄O₁₉
• Molecular Weight: 906.80
• CAS Registry Number: 163894-02-8
• SMILES: CC(=O)OO.c1\c2c(c(c([nH]2)/cc/3\nc(/cc\4/c(c(/c(/[nH]4)c/c5n/c1/C(=C5CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O
• InChI: 1S/C40H38N4O16.C2H4O3/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29;1-2(3)5-4/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60);4H,1H3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
• InChIKey: SXBPYFXUGZETJB-RGGAHWMASA-N

Properties

• Refractive index: (Cal.)