Ferrate(2-), [7-ethenyl-12-(1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrienyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-κN21N22N23N24]-, hydrogen (1:2)

CAS Registry Number®

137397-56-9
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CAS Name

Ferrate(2-), [7-ethenyl-12-(1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrienyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-κN21N22N23N24]-, hydrogen (1:2)

Molecular Formula

C49H56FeN4O5.2H

Cite this Page

Ferrate(2-), [7-ethenyl-12-(1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrienyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-κN21N22N23N24]-, hydrogen (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=137397-56-9 (retrieved 2021-10-16) (CAS RN: 137397-56-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=FISPASSVCDRERW-GLFYHZJASA-L

SMILES

C(CCC=C(CCC=C(CCC=C(C)C)C)C)(O)C=1C=2[N-]3[Fe+2]45[N-]6C(C=C7[N]4=C(C=C3C1C)C(C)=C7CCC([O-])=O)=C(CCC([O-])=O)C(C)=C6C=C8[N]5=C(C2)C(C)=C8C=C.[H+]

Canonical SMILES

[H+].O=C([O-])CCC=1C=2C=C3C(=C(C4=CC=5C(C=C)=C(C6=CC7=C(C(=C8C=C(C1C)[N]2[Fe+2]([N]56)([N-]43)[N-]87)C)C(O)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)CCC(=O)[O-]

Other Names for this Substance

  • Ferrate(2-), [7-ethenyl-12-(1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrienyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-κN21N22N23N24]-, hydrogen (1:2)
  • Ferrate(2-), [7-ethenyl-12-(1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrienyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24]-, dihydrogen
  • Heme O