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Reference substances

Reference substances

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General information

Inventory

EC number:
201-740-9
EC name:
Isosorbide dinitrate
CAS number:
87-33-2

No inventory information available

Reference substance information

IUPAC name:
(3S,3aS,6R,6aS)-6-(nitrooxy)-hexahydrofuro[3,2-b]furan-3-yl nitrate
Synonyms
Names:
(3R,3aS,6S,6aS)-hexahydrofuro[3,2-b]furan-3,6-diyl dinitrate

CAS information

CAS number:
87-33-2

Molecular and structural information

Molecular formula:
C6H8N2O8
Molecular weight:
236.136
SMILES notation:
[O-][N+](=O)O[C@H]1CO[C@@H]2[C@H](O[N+]([O-])=O)CO[C@H]12
InChl:
InChI=1/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1
Structural formula:
Chemical structure