[3,3'-{8-[(4E,8E)-1-Hydroxy-5,9,13-Trimethyl-4,8,12-Tetradecatrien-1-Yl]-3,7,12,17-Tetramethyl-13-Vinyl-2,18-Porphyrindiyl-kappa²N²¹,N²³}Dipropanoato(2-)]Iron
[CAS# 137397-56-9]

Identification

• Name: [3,3'-{8-[(4E,8E)-1-Hydroxy-5,9,13-Trimethyl-4,8,12-Tetradecatrien-1-Yl]-3,7,12,17-Tetramethyl-13-Vinyl-2,18-Porphyrindiyl-kappa²N²¹,N²³}Dipropanoato(2-)]Iron
• Molecular Formula: C₄₉H₅₈FeN₄O₅
• Molecular Weight: 838.85
• CAS Registry Number: 137397-56-9
• SMILES: C/C(C)=C\CCC(\C)=C\CCC(\C)=C\CCC(O)C=2\C\1=C\c4n3[Fe]N6C(=C\C(=N/1)\C=2C)C(\C)=C(\CCC(O)=O)/C6=C/C5=N/C(=C\c3c(C=C)c4C)C(/C)=C5/CCC(O)=O
• InChI: 1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-2/b29-16+,30-18+,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-
• InChIKey: FISPASSVCDRERW-KVGORYHISA-L

Properties

• Refractive index: (Cal.)