Chem
J-GLOBAL ID：200907026663022589   Nikkaji number：J1.023.870F

2,8,13,18-Tetramethyl-12,17-disulfonato-21H,23H-porphyrin-3,7-dipropanoic acid dimethyl ester

2,8,13,18-テトラメチル-12,17-ジスルホナト-21H,23H-ポルフィリン-3,7-ジプロパン酸ジメチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C32H32N4O8[O-]2S2
Molecular formula furigana： C32-H32-N4-O10-S2
Molecular weight： 696.750
InChI： InChI=1S/C32H34N4O10S2/c1-15-19(7-9-29(37)45-5)25-14-26-20(8-10-30(38)46-6)16(2)22(34-26)12-27-32(48(42,43)44)18(4)24(36-27)13-28-31(47(39,40)41)17(3)23(35-28)11-21(15)33-25/h11-14,33,36H,7-10H2,1-6H3,(H,39,40,41)(H,42,43,44)/p-2/b21-11-,22-12-,23-11-,24-13-,25-14-,26-14-,27-12-,28-13-
InChI key： BKSMKFMVZKTJRH-GAKFKSTNSA-L
SMILES： COC(=O)CCC1=C(C)C2=N/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4C)S(=O)(=O)[O-])C(=C3C)S(=O)(=O)[O-])c(c1CCC(=O)OC)C
Systematic name  (3)：
  • 2,8,13,18-テトラメチル-12,17-ジスルホナト-21H,23H-ポルフィリン-3,7-ジプロパン酸ジメチル
  • 15,19-ビス(3-メトキシ-3-オキソプロピル)-5,10,14,20-テトラメチル-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1(21),2,4,6,8(23),9,11,13,15,17,19-ウンデカエン-4,9-ジスルホナート
  • 15,19-bis(3-methoxy-3-oxopropyl)-5,10,14,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaene-4,9-disulfonate
Other name (1)：
  • 2,8,13,18-Tetramethyl-12,17-disulfonato-21H,23H-porphyrin-3,7-dipropanoic acid dimethyl ester
Thsaurus map：
Thesaurus Map

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