methyl (2S,3aR)-2-ethanoyl-3,4,5,6-tetrahydro-2H-1-benzofuran-3a-carboxylate

Systemtic Name: methyl (2S,3aR)-2-ethanoyl-3,4,5,6-tetrahydro-2H-1-benzofuran-3a-carboxylate Openeye Name: methyl (2S,3aR)-2-acetyl-3,4,5,6-tetrahydro-2H-benzofuran-3a-carboxylate CAS Name: (2S,3aR)-2-acetyl-3,4,5,6-tetrahydro-2H-benzofuran-3a-carboxylic acid methyl ester IUPAC Name: methyl (2S,3aR)-2-acetyl-3,4,5,6-tetrahydro-2H-1-benzofuran-3a-carboxylate Traditional Name: (2S,3aR)-2-acetyl-3,4,5,6-tetrahydro-2H-benzofuran-3a-carboxylic acid methyl ester Formula: C12H16O4 MolecularWeight: 224.25304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC2(CCCC=C2O1)C(=O)OC

Isomeric SMILES

CC(=O)[C@@H]1C[C@@]2(CCCC=C2O1)C(=O)OC

InChI

InChI=1S/C12H16O4/c1-8(13)9-7-12(11(14)15-2)6-4-3-5-10(12)16-9/h5,9H,3-4,6-7H2,1-2H3/t9-,12+/m0/s1