Chem
J-GLOBAL ID：200907002344204430   Nikkaji number：J15.490C

PPIX

PPIX
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： C34H34N4O4
Molecular formula furigana： C34-H34-N4-O4
Molecular weight： 562.670
InChI： InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35,38H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
InChI key： KSFOVUSSGSKXFI-UJJXFSCMSA-N
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(=C3C)C=C)c(c1C)C=C
Systematic name  (11)：
  • 7,12-ジビニル-3,8,13,17-テトラメチル-21H,23H-ポルフィリン-2,18-ジプロパン酸
  • 3,8,13,17-テトラメチル-7,12-ジエテニル-21H,23H-ポルフィリン-2,18-ジプロピオン酸
  • 3,8,13,17-テトラメチル-7,12-ジエテニル-21H,23H-ポルフィリン-2,18-ビスプロパン酸
  • 2,8,12,17-テトラメチル-13,18-ジビニル-21H,23H-ポルフィリン-3,7-ジプロピオン酸
  • 4,9,15,19-テトラメチル-5,20-ジビニル-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサン-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-10,14-ビスプロパン酸
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Other name (12)：
  • 13,18-Divinyl-2,8,12,17-tetramethyl-21H,23H-porphyrin-3,7-bispropanoic acid
  • 13,18-Divinyl-2,8,12,17-tetramethyl-21H,23H-porphyrin-3,7-bispropionic acid
  • 7,12-Divinyl-3,8,13,17-tetramethyl-21H,23H-porphyrin-2,18-dipropanoic acid
  • PPIX
  • 3,8,13,17-Tetramethyl-7,12-diethenyl-21H,23H-porphyrin-2,18-dipropionic acid
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Regulation number (2)：
  • EINECS2090337
  • TSCA(553-12-8)
KEGG COMPOUND： C02191
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