2,2',2'',2'''-[1,2-Phenylenebis(Methanetriyldisulfanediyl)]Tetraacetic Acid

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Properties Simple | Detailed

Formula C16H18O8S4
IUPAC Name 2-[[2-[bis(carboxymethylsulfanyl)methyl]phenyl]-(carboxymethylsulfanyl)methyl]sulfanylacetic acid
Molecular Mass 466.569 g·mol−1
Heat of Formation -1466.6 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 484.5 Å 3
Surface Area 342.67 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (o-phenylenebis(methylidynedithio))tetraacetic acid
  • 2-[[2-[bis(carboxymethylsulfanyl)methyl]phenyl]-(carboxymethylsulfanyl)methyl]sulfanylethanoic acid
  • 2-[[[2-[bis(carboxymethylthio)methyl]phenyl]-(carboxymethylthio)methyl]thio]acetic acid
  • acetic acid, (o-phenylenebis(methylidynedithio))tetra-
  • acetic acid, 2,2',2'',2'''-(1,2-phenylenebis(methylidynebis(thio))tetrakis-
  • phthalyltetrathioacetic acid
  • ptta
CAS Number(s)
  • 51865-21-5
InChIKey VGQNYXDTZUDPEI-UHFFFAOYSA-N
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