21H,23H-Porphine-2,18-dipropanoic acid, 12-[1-[1-[2,18-bis(2-carboxyethyl)-12-(1-hydroxyethyl)-3,8,13,17-tetramethyl-21H,23H-porphin-7-yl]ethoxy]ethyl]-7-(1-hydroxyethyl)-3,8,13,17-tetramethyl-, sodiu m salt (1:1)

More details:

• Systematic name

  21H,23H-Porphine-2,18-dipropanoic acid, 12-[1-[1-[2,18-bis(2-carboxyethyl)-12-(1-hydroxyethyl)-3,8,13,17-tetramethyl-21H,23H-porphin-7-yl]ethoxy]ethyl]-7-(1-hydroxyethyl)-3,8,13,17-tetramethyl-, sodiu m salt (1:1)

• SMILES

  [Na+].OC(=O)CC\C2=C(/C)c1cc%10nc(cc4nc(cc3nc(cc2n1)c(CCC(O)=O)c3C)/C(=C4/C)C(C)OC(C)c9c5nc(cc8nc(cc7nc(cc6nc(c5)C(\C)=C6\C(C)O)c(C)c7CCC(O)=O)C(\CCC(O)=O)=C8\C)c9C)c(C(C)O)c%10C

• Std. InChi

  InChI=1S/C68H74N8O11.Na/c1-29-41(13-17-61(79)80)53-28-56-44(16-20-64(85)86)32(4)48(72-56)24-59-68(36(8)52(76-59)25-58-65(37(9)77)33(5)49(73-58)21-45(29)69-53)40(12)87-39(11)67-35(7)50-22-46-30(2)42(14-18-62(81)82)54(70-46)27-55-43(15-19-63(83)84)31(3)47(71-55)23-57-66(38(10)78)34(6)51(74-57)26-60(67)75-50;/h21-28,37-40,71-73,75,77-78H,13-20H2,1-12H3,(H,79,80)(H,81,82)(H,83,84)(H,85,86);/q;+1/b45-21-,46-22-,47-23-,48-24-,49-21-,50-22-,51-26-,52-25-,53-28-,54-27-,55-27-,56-28-,57-23-,58-25-,59-24-,60-26-;

• Std. InChIKey

  CGQHMICGJYKFFJ-ZLJVSRBASA-N

• Cite this record

  CSID:10482283, http://www.chemspider.com/Chemical-Structure.10482283.html (accessed 03:13, Apr 20, 2024)