methyl (2R,7aR)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-carboxylate

Systemtic Name: methyl (2R,7aR)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-carboxylate Openeye Name: methyl (2R,7aR)-4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-2-carboxylate CAS Name: (2R,7aR)-4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-2-carboxylic acid methyl ester IUPAC Name: methyl (2R,7aR)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-carboxylate Traditional Name: (2R,7aR)-4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-2-carboxylic acid methyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2(C1=CC(O2)C(=O)OC)C)C

Isomeric SMILES

C[C@@]12CCCC(C1=C[C@@H](O2)C(=O)OC)(C)C

InChI

InChI=1S/C13H20O3/c1-12(2)6-5-7-13(3)10(12)8-9(16-13)11(14)15-4/h8-9H,5-7H2,1-4H3/t9-,13-/m1/s1