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

Systemtic Name: methyl (3aR,4S,7aS)-7a-methyl-3-oxidanylidene-1,3a,4,5-tetrahydro-2-benzofuran-4-carboxylate Openeye Name: methyl (3aR,4S,7aS)-7a-methyl-3-oxo-1,3a,4,5-tetrahydroisobenzofuran-4-carboxylate CAS Name: (3aR,4S,7aS)-7a-methyl-3-oxo-1,3a,4,5-tetrahydroisobenzofuran-4-carboxylic acid methyl ester IUPAC Name: methyl (3aR,4S,7aS)-7a-methyl-3-oxo-1,3a,4,5-tetrahydro-2-benzofuran-4-carboxylate Traditional Name: (3aR,4S,7aS)-3-keto-7a-methyl-1,3a,4,5-tetrahydroisobenzofuran-4-carboxylic acid methyl ester Formula: C11H14O4 MolecularWeight: 210.22646

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Descriptors Computed from Structure

Canonical SMILES:

CC12COC(=O)C1C(CC=C2)C(=O)OC

Isomeric SMILES

C[C@@]12COC(=O)[C@@H]1[C@H](CC=C2)C(=O)OC

InChI

InChI=1S/C11H14O4/c1-11-5-3-4-7(9(12)14-2)8(11)10(13)15-6-11/h3,5,7-8H,4,6H2,1-2H3/t7-,8-,11+/m0/s1