2,2-dimethylpropyl 4-bromanyl-2-(1,3,6,2-dioxazaborocan-2-yl)benzoate

Systemtic Name: 2,2-dimethylpropyl 4-bromanyl-2-(1,3,6,2-dioxazaborocan-2-yl)benzoate Openeye Name: 2,2-dimethylpropyl 4-bromo-2-(1,3,6,2-dioxazaborocan-2-yl)benzoate CAS Name: 4-bromo-2-(1,3,6,2-dioxazaborocan-2-yl)benzoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 4-bromo-2-(1,3,6,2-dioxazaborocan-2-yl)benzoate Traditional Name: 4-bromo-2-(1,3,6,2-dioxazaborocan-2-yl)benzoic acid neopentyl ester Formula: C16H23BBrNO4 MolecularWeight: 384.07312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(OCCNCCO1)C2=C(C=CC(=C2)Br)C(=O)OCC(C)(C)C

Isomeric SMILES

B1(OCCNCCO1)C2=C(C=CC(=C2)Br)C(=O)OCC(C)(C)C

InChI

InChI=1S/C16H23BBrNO4/c1-16(2,3)11-21-15(20)13-5-4-12(18)10-14(13)17-22-8-6-19-7-9-23-17/h4-5,10,19H,6-9,11H2,1-3H3