[2-(bromomethyl)-2-(2,4-dimethylphenyl)-1,3-dioxolan-4-yl]methyl benzoate

Systemtic Name: [2-(bromomethyl)-2-(2,4-dimethylphenyl)-1,3-dioxolan-4-yl]methyl benzoate Openeye Name: [2-(bromomethyl)-2-(2,4-dimethylphenyl)-1,3-dioxolan-4-yl]methyl benzoate CAS Name: benzoic acid [2-(bromomethyl)-2-(2,4-dimethylphenyl)-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [2-(bromomethyl)-2-(2,4-dimethylphenyl)-1,3-dioxolan-4-yl]methyl benzoate Traditional Name: benzoic acid [2-(bromomethyl)-2-(2,4-dimethylphenyl)-1,3-dioxolan-4-yl]methyl ester Formula: C20H21BrO4 MolecularWeight: 405.28234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2(OCC(O2)COC(=O)C3=CC=CC=C3)CBr)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2(OCC(O2)COC(=O)C3=CC=CC=C3)CBr)C

InChI

InChI=1S/C20H21BrO4/c1-14-8-9-18(15(2)10-14)20(13-21)24-12-17(25-20)11-23-19(22)16-6-4-3-5-7-16/h3-10,17H,11-13H2,1-2H3