methyl (3R,3aS,7aS)-3-methyl-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-3-carboxylate

Systemtic Name: methyl (3R,3aS,7aS)-3-methyl-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1-benzofuran-3-carboxylate Openeye Name: methyl (3R,3aS,7aS)-3-methyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzofuran-3-carboxylate CAS Name: (3R,3aS,7aS)-3-methyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzofuran-3-carboxylic acid methyl ester IUPAC Name: methyl (3R,3aS,7aS)-3-methyl-2-oxo-3a,4,5,6,7,7a-hexahydro-1-benzofuran-3-carboxylate Traditional Name: (3R,3aS,7aS)-2-keto-3-methyl-3a,4,5,6,7,7a-hexahydrobenzofuran-3-carboxylic acid methyl ester Formula: C11H16O4 MolecularWeight: 212.24234

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCCCC2OC1=O)C(=O)OC

Isomeric SMILES

C[C@@]1([C@@H]2CCCC[C@@H]2OC1=O)C(=O)OC

InChI

InChI=1S/C11H16O4/c1-11(9(12)14-2)7-5-3-4-6-8(7)15-10(11)13/h7-8H,3-6H2,1-2H3/t7-,8+,11-/m1/s1