[(3aR,7aS)-6-bromanyl-5-ethenyl-2,2-dimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-yl] ethanoate

Systemtic Name: [(3aR,7aS)-6-bromanyl-5-ethenyl-2,2-dimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-yl] ethanoate Openeye Name: [(3aR,7aS)-6-bromo-2,2-dimethyl-5-vinyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-yl] acetate CAS Name: acetic acid [(3aR,7aS)-6-bromo-5-ethenyl-2,2-dimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-yl] ester IUPAC Name: [(3aR,7aS)-6-bromo-5-ethenyl-2,2-dimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-yl] acetate Traditional Name: acetic acid [(3aR,7aS)-6-bromo-2,2-dimethyl-5-vinyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-yl] ester Formula: C13H17BrO4 MolecularWeight: 317.17568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CC2C(C=C1Br)OC(O2)(C)C)C=C

Isomeric SMILES

CC(=O)OC1(C[C@@H]2[C@H](C=C1Br)OC(O2)(C)C)C=C

InChI

InChI=1S/C13H17BrO4/c1-5-13(16-8(2)15)7-10-9(6-11(13)14)17-12(3,4)18-10/h5-6,9-10H,1,7H2,2-4H3/t9-,10+,13?/m0/s1