(3aR,4S,5R,7aR)-4-bromanyl-5-oxidanyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one

Systemtic Name: (3aR,4S,5R,7aR)-4-bromanyl-5-oxidanyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one Openeye Name: (3aR,4S,5R,7aR)-4-bromo-5-hydroxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one CAS Name: (3aR,4S,5R,7aR)-4-bromo-5-hydroxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one IUPAC Name: (3aR,4S,5R,7aR)-4-bromo-5-hydroxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one Traditional Name: (3aR,4S,5R,7aR)-4-bromo-5-hydroxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one Formula: C7H7BrO4 MolecularWeight: 235.03208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(C(C1O)Br)OC(=O)O2

Isomeric SMILES

C1=C[C@@H]2[C@H]([C@H]([C@@H]1O)Br)OC(=O)O2

InChI

InChI=1S/C7H7BrO4/c8-5-3(9)1-2-4-6(5)12-7(10)11-4/h1-6,9H/t3-,4-,5+,6-/m1/s1