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

Systemtic Name: ethyl (2S,3aR)-2-ethenyl-3,4,5,6-tetrahydro-2H-1-benzofuran-3a-carboxylate Openeye Name: ethyl (2S,3aR)-2-vinyl-3,4,5,6-tetrahydro-2H-benzofuran-3a-carboxylate CAS Name: (2S,3aR)-2-ethenyl-3,4,5,6-tetrahydro-2H-benzofuran-3a-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3aR)-2-ethenyl-3,4,5,6-tetrahydro-2H-1-benzofuran-3a-carboxylate Traditional Name: (2S,3aR)-2-vinyl-3,4,5,6-tetrahydro-2H-benzofuran-3a-carboxylic acid ethyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCCC=C1OC(C2)C=C

Isomeric SMILES

CCOC(=O)[C@@]12CCCC=C1O[C@@H](C2)C=C

InChI

InChI=1S/C13H18O3/c1-3-10-9-13(12(14)15-4-2)8-6-5-7-11(13)16-10/h3,7,10H,1,4-6,8-9H2,2H3/t10-,13-/m1/s1