prop-2-ynyl (3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole-4-carboxylate

Systemtic Name: prop-2-ynyl (3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole-4-carboxylate Openeye Name: prop-2-ynyl (3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole-4-carboxylate CAS Name: (3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole-4-carboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl (3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole-4-carboxylate Traditional Name: (3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole-4-carboxylic acid propargyl ester Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C=CC=C(C2O1)C(=O)OCC#C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H14O4/c1-4-8-15-12(14)9-6-5-7-10-11(9)17-13(2,3)16-10/h1,5-7,10-11H,8H2,2-3H3/t10-,11+/m0/s1