β-D-Glucopyranoside, 3-(4-methoxyphenyl)propyl, 2-(hydrogen sulfate), monosodium salt

CAS Registry Number®

217971-99-8
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CAS Name

β-D-Glucopyranoside, 3-(4-methoxyphenyl)propyl, 2-(hydrogen sulfate), monosodium salt

Molecular Formula

C16H24O10S.Na

Cite this Page

β-D-Glucopyranoside, 3-(4-methoxyphenyl)propyl, 2-(hydrogen sulfate), monosodium salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=217971-99-8 (retrieved 2024-09-19) (CAS RN: 217971-99-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H24O10S.Na/c1-23-11-6-4-10(5-7-11)3-2-8-24-16-15(26-27(20,21)22)14(19)13(18)12(9-17)25-16;/h4-7,12-19H,2-3,8-9H2,1H3,(H,20,21,22);/t12-,13-,14+,15-,16-;/m1./s1

InChIKey

InChIKey=FDQRWDNEIJWSNB-DNJQXARPSA-N

SMILES

O(S(=O)(=O)O)[C@H]1[C@H](OCCCC2=CC=C(OC)C=C2)O[C@H](CO)[C@@H](O)[C@@H]1O.[Na]

Canonical SMILES

[Na].O=S(=O)(O)OC1C(OCCCC2=CC=C(OC)C=C2)OC(CO)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, 3-(4-methoxyphenyl)propyl, 2-(hydrogen sulfate), monosodium salt