(3aR,4S,6aS)-4-(2-bromanylpropan-2-yl)-6a-methyl-3a,4,5,6-tetrahydropentalen-1-one

Systemtic Name: (3aR,4S,6aS)-4-(2-bromanylpropan-2-yl)-6a-methyl-3a,4,5,6-tetrahydropentalen-1-one Openeye Name: (3aR,4S,6aS)-4-(1-bromo-1-methyl-ethyl)-6a-methyl-3a,4,5,6-tetrahydropentalen-1-one CAS Name: (3aR,4S,6aS)-4-(2-bromopropan-2-yl)-6a-methyl-3a,4,5,6-tetrahydropentalen-1-one IUPAC Name: (3aR,4S,6aS)-4-(2-bromopropan-2-yl)-6a-methyl-3a,4,5,6-tetrahydropentalen-1-one Traditional Name: (3aR,4S,6aS)-4-(1-bromo-1-methyl-ethyl)-6a-methyl-3a,4,5,6-tetrahydropentalen-1-one Formula: C12H17BrO MolecularWeight: 257.16678

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C1C=CC2=O)C(C)(C)Br

Isomeric SMILES

C[C@]12CC[C@@H]([C@H]1C=CC2=O)C(C)(C)Br

InChI

InChI=1S/C12H17BrO/c1-11(2,13)8-6-7-12(3)9(8)4-5-10(12)14/h4-5,8-9H,6-7H2,1-3H3/t8-,9+,12-/m0/s1