1,4-Butanediyl Bis(2-Hydroxyethanesulfonate)

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Properties Simple | Detailed

Formula C8H18O8S2
IUPAC Name 4-(2-hydroxyethylsulfonyloxy)butyl 2-hydroxyethanesulfonate
Molecular Mass 306.354 g·mol−1
Heat of Formation -1498.1 ± 16.7 kJ·mol−1
Dipole Moment 2.64 ± 1.08 D
Volume 322.68 Å 3
Surface Area 314.26 Å 2
HOMO Energy -11.05 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-bit
  • 1,4-butanediol diisethionate
  • 2-hydroxyethanesulfonic acid 4-(2-hydroxyethylsulfonyloxy)butyl ester
  • ethanesulfonic acid, 2-hydroxy-, 1,4-butanediyl ester
CAS Number(s)
  • 81171-23-5
InChIKey ZYHQYSIVGCZMNM-UHFFFAOYSA-N
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