Sucrose Octabenzoate
[CAS# 2425-84-5]

Identification

• Name: Sucrose Octabenzoate
• Synonyms: Sucrose Octabenzoic Acid; Alpha-D-Glucopyranoside, 1,3,4,6-Tetra-O-Benzoyl-Beta-D-Fructofuranosyl, Tetrabenzoate
• Molecular Formula: C₆₈H₅₄O₁₉
• Molecular Weight: 1175.16
• CAS Registry Number: 2425-84-5
• SMILES: [C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)OC(C2=CC=CC=C2)=O)OC(C3=CC=CC=C3)=O)OC(C4=CC=CC=C4)=O)(OC(C5=CC=CC=C5)=O)[C@]9(COC(C6=CC=CC=C6)=O)[C@@H](OC(C7=CC=CC=C7)=O)[C@H](OC(C8=CC=CC=C8)=O)[C@H](O9)COC(C%10=CC=CC=C%10)=O
• InChI: 1S/C68H54O19/c69-41-52-54(80-61(72)46-29-13-3-14-30-46)56(82-63(74)48-33-17-5-18-34-48)58(84-65(76)50-37-21-7-22-38-50)68(86-52,87-66(77)51-39-23-8-24-40-51)67(43-79-60(71)45-27-11-2-12-28-45)57(83-64(75)49-35-19-6-20-36-49)55(81-62(73)47-31-15-4-16-32-47)53(85-67)42-78-59(70)44-25-9-1-10-26-44/h1-40,52-58,69H,41-43H2/t52-,53-,54-,55-,56+,57+,58-,67+,68+/m1/s1
• InChIKey: WWZRLWYKZDWIBA-OENJSFRGSA-N

Properties

• Density: 1.43g/cm³ (Cal.)