(3S,3aR,7aS)-4-bromanyl-3-methyl-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one

Systemtic Name: (3S,3aR,7aS)-4-bromanyl-3-methyl-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one Openeye Name: (3S,3aR,7aS)-4-bromo-3-methyl-3a,6,7,7a-tetrahydro-3H-isobenzofuran-1-one CAS Name: (3S,3aR,7aS)-4-bromo-3-methyl-3a,6,7,7a-tetrahydro-3H-isobenzofuran-1-one IUPAC Name: (3S,3aR,7aS)-4-bromo-3-methyl-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one Traditional Name: (3S,3aR,7aS)-4-bromo-3-methyl-3a,6,7,7a-tetrahydro-3H-isobenzofuran-1-one Formula: C9H11BrO2 MolecularWeight: 231.08644

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CCC=C2Br)C(=O)O1

Isomeric SMILES

C[C@H]1[C@H]2[C@H](CCC=C2Br)C(=O)O1

InChI

InChI=1S/C9H11BrO2/c1-5-8-6(9(11)12-5)3-2-4-7(8)10/h4-6,8H,2-3H2,1H3/t5-,6-,8-/m0/s1