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

Systemtic Name: methyl (3aR,7aR)-7a-ethynyl-2-methyl-4,5,6,7-tetrahydro-3aH-1-benzofuran-3-carboxylate Openeye Name: methyl (3aR,7aR)-7a-ethynyl-2-methyl-4,5,6,7-tetrahydro-3aH-benzofuran-3-carboxylate CAS Name: (3aR,7aR)-7a-ethynyl-2-methyl-4,5,6,7-tetrahydro-3aH-benzofuran-3-carboxylic acid methyl ester IUPAC Name: methyl (3aR,7aR)-7a-ethynyl-2-methyl-4,5,6,7-tetrahydro-3aH-1-benzofuran-3-carboxylate Traditional Name: (3aR,7aR)-7a-ethynyl-2-methyl-4,5,6,7-tetrahydro-3aH-benzofuran-3-carboxylic acid methyl ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2CCCCC2(O1)C#C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3/c1-4-13-8-6-5-7-10(13)11(9(2)16-13)12(14)15-3/h1,10H,5-8H2,2-3H3/t10-,13-/m1/s1