methyl (3aR,7aR)-2-methyl-7-oxidanylidene-4,5,6,7a-tetrahydro-3aH-1-benzofuran-3-carboxylate

Systemtic Name: methyl (3aR,7aR)-2-methyl-7-oxidanylidene-4,5,6,7a-tetrahydro-3aH-1-benzofuran-3-carboxylate Openeye Name: methyl (3aR,7aR)-2-methyl-7-oxo-4,5,6,7a-tetrahydro-3aH-benzofuran-3-carboxylate CAS Name: (3aR,7aR)-2-methyl-7-oxo-4,5,6,7a-tetrahydro-3aH-benzofuran-3-carboxylic acid methyl ester IUPAC Name: methyl (3aR,7aR)-2-methyl-7-oxo-4,5,6,7a-tetrahydro-3aH-1-benzofuran-3-carboxylate Traditional Name: (3aR,7aR)-7-keto-2-methyl-4,5,6,7a-tetrahydro-3aH-benzofuran-3-carboxylic acid methyl ester Formula: C11H14O4 MolecularWeight: 210.22646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2CCCC(=O)C2O1)C(=O)OC

Isomeric SMILES

CC1=C([C@H]2CCCC(=O)[C@@H]2O1)C(=O)OC

InChI

InChI=1S/C11H14O4/c1-6-9(11(13)14-2)7-4-3-5-8(12)10(7)15-6/h7,10H,3-5H2,1-2H3/t7-,10-/m1/s1