(Sp-4-2-)-(7,8-Dihydro-3,7,8,8,12,13,17-Heptamethyl-21H,23H-Porphine-2,18-Dipropanoato(4-)-N21,N22,N23,N24)-Ferrate(1-) Hydrogen
[CAS# 117828-53-2]

Identification

• Name: (Sp-4-2-)-(7,8-Dihydro-3,7,8,8,12,13,17-Heptamethyl-21H,23H-Porphine-2,18-Dipropanoato(4-)-N21,N22,N23,N24)-Ferrate(1-) Hydrogen
• Synonyms: Ferric Chlorin; Iron(Iii) Chlorin
• Molecular Formula: C₃₃H₃₅FeN₄O₄
• Molecular Weight: 607.51
• CAS Registry Number: 117828-53-2
• SMILES: [N-]4C5=CC1=C(C(=C([N-]1)C=C2N=C(C(=C2C)CCC([O-])=O)C=C3N=C(C(=C3CCC([O-])=O)C)C=C4C(C5(C)C)C)C)C.[H+].[Fe+3]
• InChI: 1S/C33H38N4O4.Fe/c1-16-17(2)26-15-30-33(6,7)20(5)27(37-30)13-25-19(4)22(9-11-32(40)41)29(36-25)14-28-21(8-10-31(38)39)18(3)24(35-28)12-23(16)34-26;/h12-15,20H,8-11H2,1-7H3,(H4,34,35,36,37,38,39,40,41);/q;+3/p-3
• InChIKey: SLYZIQLDWVTYHU-UHFFFAOYSA-K

Properties

• Boiling point: 967.2°C at 760 mmHg (Cal.)
• Flash point: 538.7°C (Cal.)