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Substance Name: Cyclohexanediol, (4-(1,1-dimethyl-2-(sulfooxy)ethyl)phenoxy)-, monosodium salt
RN: 131619-12-0
InChIKey: BMFBMARAKWPIQS-UHFFFAOYSA-M

Molecular Formula

  • C16-H24-O7-S.Na

Molecular Weight

  • 382.407
 
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Names and Synonyms

  • Cyclohexanediol, (4-(1,1-dimethyl-2-(sulfooxy)ethyl)phenoxy)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 131619-12-0

System Generated Number

  • 0131619120

Molecular Formulas

Molecular Formula

  • C16-H24-O7-S.Na

Molecular Formula Fragments

  • C16-H24-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H24O7S.Na/c1-15(2,11-22-24(19,20)21)12-6-8-13(9-7-12)23-14-5-3-4-10-16(14,17)18;/h6-9,14,17-18H,3-5,10-11H2,1-2H3,(H,19,20,21);/q;+1/p-1

InChIKey

BMFBMARAKWPIQS-UHFFFAOYSA-M

Smiles

[Na+].C1([C@@H](CCCC1)Oc1ccc(cc1)C(COS(=O)(=O)[O-])(C)C)(O)O