[(3aR,5R,6R,6aR)-5-[(Z)-3-bromanyl-3-fluoranyl-prop-2-enyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate

Systemtic Name: [(3aR,5R,6R,6aR)-5-[(Z)-3-bromanyl-3-fluoranyl-prop-2-enyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate Openeye Name: [(3aR,5R,6R,6aR)-5-[(Z)-3-bromo-3-fluoro-allyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate CAS Name: benzoic acid [(3aR,5R,6R,6aR)-5-[(Z)-3-bromo-3-fluoroprop-2-enyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester IUPAC Name: [(3aR,5R,6R,6aR)-5-[(Z)-3-bromo-3-fluoroprop-2-enyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate Traditional Name: benzoic acid [(3aR,5R,6R,6aR)-5-[(Z)-3-bromo-3-fluoro-allyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester Formula: C17H18BrFO5 MolecularWeight: 401.224223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C(OC2O1)CC=C(F)Br)OC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(O[C@@H]2[C@@H]([C@H](O[C@@H]2O1)C/C=C(/F)\Br)OC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C17H18BrFO5/c1-17(2)23-14-13(22-15(20)10-6-4-3-5-7-10)11(8-9-12(18)19)21-16(14)24-17/h3-7,9,11,13-14,16H,8H2,1-2H3/b12-9+/t11-,13-,14-,16-/m1/s1