(3aR,7aS)-6-bromanyl-2,2-dimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-one

Systemtic Name: (3aR,7aS)-6-bromanyl-2,2-dimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-one Openeye Name: (3aR,7aS)-6-bromo-2,2-dimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-one CAS Name: (3aR,7aS)-6-bromo-2,2-dimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-one IUPAC Name: (3aR,7aS)-6-bromo-2,2-dimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-one Traditional Name: (3aR,7aS)-6-bromo-2,2-dimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-one Formula: C9H11BrO3 MolecularWeight: 247.08584

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2CC(=O)C(=CC2O1)Br)C

Isomeric SMILES

CC1(O[C@@H]2CC(=O)C(=C[C@@H]2O1)Br)C

InChI

InChI=1S/C9H11BrO3/c1-9(2)12-7-3-5(10)6(11)4-8(7)13-9/h3,7-8H,4H2,1-2H3/t7-,8+/m0/s1