2-Formyl-4-Vinyldeuteroheme IX
[CAS# 14023-16-6]

Identification

• Name: 2-Formyl-4-Vinyldeuteroheme IX
• Synonyms: Ferrate(2-), (7-Ethenyl-12-Formyl-3,8,13,17-Tetramethyl-21H,23H-Porphine-2,18-Dipropanoato(4-)-N21,N22,N23,N24)-, Dihydrogen, (Sp-4-2)-
• Molecular Formula: C₃₃H₃₀FeN₄O₅
• Molecular Weight: 618.47
• CAS Registry Number: 14023-16-6
• SMILES: [N-]1C4=C(C(=C1C=C2N=C(C(=C2C)C=O)C=C3N=C(C(=C3C)C=C)C=C5[N-]C(=C4)C(=C5C)CCC([O-])=O)C)CCC([O-])=O.[H+].[H+].[Fe++]
• InChI: 1S/C33H32N4O5.Fe/c1-6-20-16(2)26-13-31-23(15-38)19(5)25(37-31)11-24-17(3)21(7-9-32(39)40)29(35-24)14-30-22(8-10-33(41)42)18(4)27(36-30)12-28(20)34-26;/h6,11-15H,1,7-10H2,2-5H3,(H4,34,35,36,37,38,39,40,41,42);/q;+2/p-2
• InChIKey: DQEQQOZHKXGGJW-UHFFFAOYSA-L