Chem
J-GLOBAL ID：200907088374952328   Nikkaji number：J1.023.869B

2,8,13,18-Tetramethyl-12,17-disulfonato-21H,23H-porphyrin-3,7-dipropionate

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-ジプロピオナート
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： C30H26N4O6[O-]4S2
Molecular formula furigana： C30-H26-N4-O10-S2
Molecular weight： 666.680
InChI： InChI=1S/C30H30N4O10S2/c1-13-17(5-7-27(35)36)23-12-24-18(6-8-28(37)38)14(2)20(32-24)10-25-30(46(42,43)44)16(4)22(34-25)11-26-29(45(39,40)41)15(3)21(33-26)9-19(13)31-23/h9-12,31,34H,5-8H2,1-4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/p-4/b19-9-,20-10-,21-9-,22-11-,23-12-,24-12-,25-10-,26-11-
InChI key： FRHKCWFANXHWTQ-IZAUZZAISA-J
SMILES： CC1=C(CCC(=O)[O-])C2=N/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4C)CCC(=O)[O-])C(=C3S(=O)(=O)[O-])C)c(c1S(=O)(=O)[O-])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-ジプロピオナート
  • 3-[20-(2-カルボキシラトエチル)-5,10,15,19-テトラメチル-9,14-ジスルホナト-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-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-4-イル]プロパノアート
  • 3-[20-(2-carboxylatoethyl)-5,10,15,19-tetramethyl-9,14-disulfonato-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl]propanoate
Other name (1)：
  • 2,8,13,18-Tetramethyl-12,17-disulfonato-21H,23H-porphyrin-3,7-dipropionate
Thsaurus map：
Thesaurus Map

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