(3aR,4S,7aS)-4-azido-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one

Systemtic Name: (3aR,4S,7aS)-4-azido-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one Openeye Name: (3aR,4S,7aS)-4-azido-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2-one CAS Name: (3aR,4S,7aS)-4-azido-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2-one IUPAC Name: (3aR,4S,7aS)-4-azido-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one Traditional Name: (3aR,4S,7aS)-4-azido-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2-one Formula: C8H11N3O2 MolecularWeight: 181.19184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2CC(=O)OC2C1)N=[N+]=[N-]

Isomeric SMILES

C1C[C@@H]([C@H]2CC(=O)O[C@H]2C1)N=[N+]=[N-]

InChI

InChI=1S/C8H11N3O2/c9-11-10-6-2-1-3-7-5(6)4-8(12)13-7/h5-7H,1-4H2/t5-,6+,7+/m1/s1