(3aS,5R,7aR)-6-bromanyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-ol

Systemtic Name: (3aS,5R,7aR)-6-bromanyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-ol Openeye Name: (3aS,5R,7aR)-6-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-ol CAS Name: (3aS,5R,7aR)-6-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-ol IUPAC Name: (3aS,5R,7aR)-6-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-ol Traditional Name: (3aS,5R,7aR)-6-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-ol Formula: C9H13BrO3 MolecularWeight: 249.10172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13BrO3/c1-9(2)12-7-3-5(10)6(11)4-8(7)13-9/h3,6-8,11H,4H2,1-2H3/t6-,7-,8+/m1/s1