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Substance Name: Sucrose octabenzoic acid
RN: 2425-84-5
UNII: 324V957SP6
InChIKey: AKIVKIDZMLQJCH-KWOGCLBWSA-N

Molecular Weight

  • 1175.1556
 
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Names and Synonyms

Name of Substance

  • Sucrose octabenzoic acid

Synonyms

  • Monopet SB
  • Sucrose octabenzoic acid
  • Sucrose, octabenzoate
  • UNII-324V957SP6

Systematic Name

  • alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-benzoyl-beta-D-fructofuranosyl, tetrabenzoate

Registry Numbers

CAS Registry Number

  • 2425-84-5

FDA UNII

  • 324V957SP6

System Generated Number

  • 0002425845

Structure Descriptors

InChI

1S/C68H54O19/c69-59(44-25-9-1-10-26-44)77-41-52-54(81-62(72)47-31-15-4-16-32-47)56(83-64(74)49-35-19-6-20-36-49)57(84-65(75)50-37-21-7-22-38-50)67(80-52)87-68(43-79-61(71)46-29-13-3-14-30-46)58(85-66(76)51-39-23-8-24-40-51)55(82-63(73)48-33-17-5-18-34-48)53(86-68)42-78-60(70)45-27-11-2-12-28-45/h1-40,52-58,67H,41-43H2/t52-,53-,54-,55-,56+,57-,58+,67-,68+/m1/s1

InChIKey

AKIVKIDZMLQJCH-KWOGCLBWSA-N

Smiles

c1ccc(cc1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)COC(=O)c4ccccc4)OC(=O)c5ccccc5)OC(=O)c6ccccc6)COC(=O)c7ccccc7)OC(=O)c8ccccc8)OC(=O)c9ccccc9)OC(=O)c1ccccc1