(Sp-5-13)-Chloro(8-Ethenyl-3,7,12,17-Tetramethyl-21H,23H-Porphine-2,18-Dipropanoato)-Ferrate Dihydrogen
[CAS# 78694-18-5]

Identification

• Name: (Sp-5-13)-Chloro(8-Ethenyl-3,7,12,17-Tetramethyl-21H,23H-Porphine-2,18-Dipropanoato)-Ferrate Dihydrogen
• Synonyms: Isopemptohemin
• Molecular Formula: C₃₂H₃₀ClFeN₄O₄
• Molecular Weight: 625.91
• CAS Registry Number: 78694-18-5
• SMILES: N1=C3C(=C(C1=CC5=NC(=CC2=C(C=C([N-]2)C=C4[N-]C(=C3)C(=C4C)CCC([O-])=O)C)C(=C5C)C=C)C)CCC([O-])=O.[H+].[H+].[Cl-].[Fe+3]
• InChI: 1S/C32H32N4O4.ClH.Fe/c1-6-21-17(3)26-14-27-19(5)23(8-10-32(39)40)30(36-27)15-29-22(7-9-31(37)38)18(4)25(34-29)12-20-11-16(2)24(33-20)13-28(21)35-26;;/h6,11-15H,1,7-10H2,2-5H3,(H4,33,34,35,36,37,38,39,40);1H;/q;;+3/p-3
• InChIKey: DYCMBTBZWVZIAB-UHFFFAOYSA-K

Properties

• Boiling point: 1122.8°C at 760 mmHg (Cal.)
• Flash point: 632.8°C (Cal.)