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

Systemtic Name: methyl (3aR,7aR)-2-methyl-7a-(3-methyl-3-oxidanyl-but-1-ynyl)-4,5,6,7-tetrahydro-3aH-1-benzofuran-3-carboxylate Openeye Name: methyl (3aR,7aR)-7a-(3-hydroxy-3-methyl-but-1-ynyl)-2-methyl-4,5,6,7-tetrahydro-3aH-benzofuran-3-carboxylate CAS Name: (3aR,7aR)-7a-(3-hydroxy-3-methylbut-1-ynyl)-2-methyl-4,5,6,7-tetrahydro-3aH-benzofuran-3-carboxylic acid methyl ester IUPAC Name: methyl (3aR,7aR)-7a-(3-hydroxy-3-methylbut-1-ynyl)-2-methyl-4,5,6,7-tetrahydro-3aH-1-benzofuran-3-carboxylate Traditional Name: (3aR,7aR)-7a-(3-hydroxy-3-methyl-but-1-ynyl)-2-methyl-4,5,6,7-tetrahydro-3aH-benzofuran-3-carboxylic acid methyl ester Formula: C16H22O4 MolecularWeight: 278.34348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O4/c1-11-13(14(17)19-4)12-7-5-6-8-16(12,20-11)10-9-15(2,3)18/h12,18H,5-8H2,1-4H3/t12-,16+/m1/s1