Xylenol Orange

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Formula C31H32N2O13S
IUPAC Name 2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methyl-phenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methyl-phenyl]methyl-(carboxymethyl)amino]acetic acid
Molecular Mass 672.656 g·mol−1
Heat of Formation -2133.4 ± 16.7 kJ·mol−1
Dipole Moment 10.86 ± 1.08 D
Volume 733.91 Å 3
Surface Area 502.86 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[5-[3-[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-5-methyl-phenyl]-1,1-diketo-benzo[c]oxathiol-3-yl]-2-hydroxy-3-methyl-benzyl]-(carboxymethyl)amino]acetic acid
  • 2-[[5-[3-[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-5-methyl-phenyl]-1,1-dioxo-benzo[c][1,2]oxathiol-3-yl]-2-hydroxy-3-methyl-phenyl]methyl-(carboxymethyl)amino]ethanoic acid
  • 2-[[5-[3-[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-5-methyl-phenyl]-1,1-dioxo-benzo[c]oxathiol-3-yl]-2-hydroxy-3-methyl-phenyl]methyl-(carboxymethyl)amino]acetic acid
  • 2-[[5-[3-[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-3-benzo[c]oxathiolyl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
  • 2-[[5-[3-[3-[(bis(carboxymethyl)amino)methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxobenzo[c]oxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
  • 3,3'-bis(n,n-di-(carboxymethyl)aminomethyl)cresolsulfonephthalein
  • 3,3'-bis[n,n-di-(carboxymethyl)aminomethyl]cresolsulfonephthalein
  • acetic acid, (3h-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-m-phenylene)methylenenitrilo))tetra-, s,s-dioxide (8ci)
  • acetic acid, [3h-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methyl-m-phenylene)methylenenitrilo]]tetra-, s,s-dioxide
  • glycine, n,n'-((1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(n-(carboxymethyl)-
  • glycine, n,n'-(3h-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(n-(carboxymethyl)-, s,s-dioxide
  • glycine, n,n'-[3h-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[n-(carboxymethyl)-, s,s-dioxide
  • glycine, n,n'-[[hydroxy(2-sulfophenyl)methylene]bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[n-(carboxymethyl)-, .gamma.-sultone
  • m-cresolphthalexon s
  • n,n'-(3h-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(n-(carboxy methyl)glycine) s,s-dioxide
  • o-cresolphthalexon s
  • {[5-(3-{3-[(bis-carboxymethyl-amino)-methyl]-4-hydroxy-5-methyl-phenyl}-1,1-dioxo-1,3-dihydro-1.lambda.6-benzo[c][1,2]oxathiol-3-yl)-2-hydroxy-3-methyl-benzyl]-carboxymethyl-amino}-acetic acid
CAS Number(s)
  • 59764-31-7
  • 6905-79-9
  • 1611-35-4
InChIKey ORZHVTYKPFFVMG-UHFFFAOYSA-N
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