ferrous;[(1R)-1-[(5Z,10Z,14Z,19Z)-8,12-bis(2-carboxyethyl)-3,7,13,18-tetramethyl-17-[(1S)-1-sulfanylethyl]porphyrin-21,23-diid-2-yl]ethyl]sulfonium

More details:

• Systematic name

  ferrous;[(1R)-1-[(5Z,10Z,14Z,19Z)-8,12-bis(2-carboxyethyl)-3,7,13,18-tetramethyl-17-[(1S)-1-sulfanylethyl]porphyrin-21,23-diid-2-yl]ethyl]sulfonium

• SMILES

  Cc1/c/2c/c3n/c(c\c4c(c(c([n-]4)/cc/5\nc(/cc(/c1CCC(=O)O)\[n-]2)C(=C5C)CCC(=O)O)C)[C@@H](C)[SH2+])/C(=C3[C@H](C)S)C.[Fe+2]

• Std. InChi

  InChI=1S/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-1/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;

• Std. InChIKey

  XSWPXBWSKQRBRZ-IDTMDVKXSA-M

• Cite this record

  CSID:4593412, http://www.chemspider.com/Chemical-Structure.4593412.html (accessed 07:22, Apr 25, 2024)