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

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

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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)14-12(5-4-6-13(14)18)17-22-9-7-19-8-10-23-17/h4-6,19H,7-11H2,1-3H3