(3aR,4R,7aR)-4-bromanyl-3-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one

Systemtic Name: (3aR,4R,7aR)-4-bromanyl-3-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one Openeye Name: (3aR,4R,7aR)-4-bromo-3-methyl-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2-one CAS Name: (3aR,4R,7aR)-4-bromo-3-methyl-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2-one IUPAC Name: (3aR,4R,7aR)-4-bromo-3-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one Traditional Name: (3aR,4R,7aR)-4-bromo-3-methyl-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2-one Formula: C9H13BrO2 MolecularWeight: 233.10232

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CCCC2Br)OC1=O

Isomeric SMILES

CC1[C@@H]2[C@@H](CCC[C@H]2Br)OC1=O

InChI

InChI=1S/C9H13BrO2/c1-5-8-6(10)3-2-4-7(8)12-9(5)11/h5-8H,2-4H2,1H3/t5?,6-,7-,8+/m1/s1