Phthalein Complexon

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Properties Simple | Detailed

Formula C32H32N2O12
IUPAC Name 2-[(s)-[5-[1-[3-[[(s)-carboxylatomethyl(carboxymethyl)ammonio]methyl]-4-hydroxy-5-methyl-phenyl]-3-oxo-isobenzofuran-1-yl]-2-hydroxy-3-methyl-phenyl]methyl-(carboxymethyl)ammonio]acetate
Molecular Mass 636.603 g·mol−1
Heat of Formation -1893.8 ± 16.7 kJ·mol−1
Dipole Moment 10.20 ± 1.08 D
Volume 709.5 Å 3
Surface Area 500.82 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dihydro-3-oxoisobenzofuran-1-ylidenebis(6-hydroxy-5-methyl-m-phenylenemethylenenitrilo)tetra-acetic acid
  • 2-[[5-[1-[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-5-methyl-phenyl]-3-keto-isobenzofuran-1-yl]-2-hydroxy-3-methyl-benzyl]-(carboxymethyl)amino]acetic acid
  • 2-[[5-[1-[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-5-methyl-phenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methyl-phenyl]methyl-(carboxymethyl)amino]ethanoic acid
  • 2-[[5-[1-[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-5-methyl-phenyl]-3-oxo-isobenzofuran-1-yl]-2-hydroxy-3-methyl-phenyl]methyl-(carboxymethyl)amino]acetic acid
  • 2-[[5-[1-[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-5-methylphenyl]-3-oxo-1-isobenzofuranyl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
  • 2-[[5-[1-[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
  • 2-cresolphthalexon
  • 3,3'-bis(n,n-di(carboxymethyl)aminomethyl)-o-cresolphthalein
  • 3,3'-bis[n,n-di(carboxymethyl)aminomethyl]-o-cresolphthalein
  • cresolphthalein complexon
  • cresolphthalein complexone
  • cresolphthalexon
  • glycine, n,n'-((3-oxo-1(3h)-isobenzofuranylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(n-(carboxymethyl)-
  • glycine, n,n'-[(3-oxo-1(3h)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[n-(carboxymethyl)-
  • n,n'-((3-oxo-1(3h)-isobenzofuranylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(n-(carboxymethyl)glycine
  • o-cresolphthalein complexon
  • phenolphthalein, 3',3''-bis[[bis(carboxymethyl)amino]methyl]-5',5''-dimethyl-
InChIKey IYZPEGVSBUNMBE-UHFFFAOYSA-N
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