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

Systemtic Name: 2,2-dimethylpropyl 4-chloranyl-2-(1,3,6,2-dioxazaborocan-2-yl)benzoate Openeye Name: 2,2-dimethylpropyl 4-chloro-2-(1,3,6,2-dioxazaborocan-2-yl)benzoate CAS Name: 4-chloro-2-(1,3,6,2-dioxazaborocan-2-yl)benzoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 4-chloro-2-(1,3,6,2-dioxazaborocan-2-yl)benzoate Traditional Name: 4-chloro-2-(1,3,6,2-dioxazaborocan-2-yl)benzoic acid neopentyl ester Formula: C16H23BClNO4 MolecularWeight: 339.62212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23BClNO4/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