Chem
J-GLOBAL ID：200907013380270638   Nikkaji number：J2.078.398B

5,10,15,20-Tetrakis[2-(sulfonatoacetylamino)phenyl]-21H,23H-porphyrin

5,10,15,20-テトラキス[2-(スルホナトアセチルアミノ)フェニル]-21H,23H-ポルフィリン
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： C52H38N8O12[O-]4S4
Molecular formula furigana： C52-H38-N8-O16-S4
Molecular weight： 1159.160
InChI： InChI=1S/C52H42N8O16S4/c61-45(25-77(65,66)67)57-33-13-5-1-9-29(33)49-37-17-19-39(53-37)50(30-10-2-6-14-34(30)58-46(62)26-78(68,69)70)41-21-23-43(55-41)52(32-12-4-8-16-36(32)60-48(64)28-80(74,75)76)44-24-22-42(56-44)51(40-20-18-38(49)54-40)31-11-3-7-15-35(31)59-47(63)27-79(71,72)73/h1-24,53,56H,25-28H2,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)/p-4/b49-37-,49-38-,50-39-,50-41-,51-40-,51-42-,52-43-,52-44-
InChI key： BMYNPQSIAXFLJE-QURNHSOUSA-J
SMILES： [O-]S(=O)(=O)CC(=O)Nc1ccccc1/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccccc1NC(=O)CS(=O)(=O)[O-])[nH]4)/c1ccccc1NC(=O)CS(=O)(=O)[O-])/C=C3)\c1ccccc1NC(=O)CS(=O)(=O)[O-])/[nH]2
Systematic name  (3)：
  • 5,10,15,20-テトラキス[2-(スルホナトアセチルアミノ)フェニル]-21H,23H-ポルフィリン
  • [(2-{7,12,17-トリス[2-(2-スルホナトアセトアミド)フェニル]-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-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル}フェニル)カルバモイル]メタンスルホナート
  • [(2-{7,12,17-tris[2-(2-sulfonatoacetamido)phenyl]-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-2-yl}phenyl)carbamoyl]methanesulfonate
Other name (1)：
  • 5,10,15,20-Tetrakis[2-(sulfonatoacetylamino)phenyl]-21H,23H-porphyrin
Thsaurus map：
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