methyl (1S,3aS,4S,7aR)-7-bromanyl-1-methyl-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate

Systemtic Name: methyl (1S,3aS,4S,7aR)-7-bromanyl-1-methyl-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Openeye Name: methyl (1S,3aS,4S,7aR)-7-bromo-1-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylate CAS Name: (1S,3aS,4S,7aR)-7-bromo-1-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,3aS,4S,7aR)-7-bromo-1-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Traditional Name: (1S,3aS,4S,7aR)-7-bromo-3-keto-1-methyl-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid methyl ester Formula: C11H13BrO4 MolecularWeight: 289.12252

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(CC=C2Br)C(=O)OC)C(=O)O1

Isomeric SMILES

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

InChI

InChI=1S/C11H13BrO4/c1-5-8-7(12)4-3-6(10(13)15-2)9(8)11(14)16-5/h4-6,8-9H,3H2,1-2H3/t5-,6-,8+,9-/m0/s1