methyl (4aR,8aR)-3,8a-dimethyl-4a,9-dihydro-4H-benzo[f][1]benzofuran-5-carboxylate

Systemtic Name: methyl (4aR,8aR)-3,8a-dimethyl-4a,9-dihydro-4H-benzo[f][1]benzofuran-5-carboxylate Openeye Name: methyl (4aR,8aR)-3,8a-dimethyl-4a,9-dihydro-4H-benzo[f]benzofuran-5-carboxylate CAS Name: (4aR,8aR)-3,8a-dimethyl-4a,9-dihydro-4H-benzo[f]benzofuran-5-carboxylic acid methyl ester IUPAC Name: methyl (4aR,8aR)-3,8a-dimethyl-4a,9-dihydro-4H-benzo[f][1]benzofuran-5-carboxylate Traditional Name: (4aR,8aR)-3,8a-dimethyl-4a,9-dihydro-4H-benzo[f]benzofuran-5-carboxylic acid methyl ester Formula: C16H18O3 MolecularWeight: 258.31232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C1CC3C(=CC=CC3(C2)C)C(=O)OC

Isomeric SMILES

CC1=COC2=C1C[C@H]3C(=CC=C[C@]3(C2)C)C(=O)OC

InChI

InChI=1S/C16H18O3/c1-10-9-19-14-8-16(2)6-4-5-11(15(17)18-3)13(16)7-12(10)14/h4-6,9,13H,7-8H2,1-3H3/t13-,16-/m0/s1