2-butyl-4-methyl-2-oxidanyl-5-phenyl-1,3,2-oxazaborolidin-2-ium

Systemtic Name: 2-butyl-4-methyl-2-oxidanyl-5-phenyl-1,3,2-oxazaborolidin-2-ium Openeye Name: 2-butyl-2-hydroxy-4-methyl-5-phenyl-1,3,2-oxazaborolidin-2-ium CAS Name: 2-butyl-2-hydroxy-4-methyl-5-phenyl-1,3,2-oxazaborolidin-2-ium IUPAC Name: 2-butyl-2-hydroxy-4-methyl-5-phenyl-1,3,2-oxazaborolidin-2-ium Traditional Name: 2-butyl-2-hydroxy-4-methyl-5-phenyl-1,3,2-oxazaborolidin-2-ium Formula: C13H21BNO2+ MolecularWeight: 234.12234

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Descriptors Computed from Structure

Canonical SMILES:

[B+]1(NC(C(O1)C2=CC=CC=C2)C)(CCCC)O

Isomeric SMILES

[B+]1(NC(C(O1)C2=CC=CC=C2)C)(CCCC)O

InChI

InChI=1S/C13H21BNO2/c1-3-4-10-14(16)15-11(2)13(17-14)12-8-6-5-7-9-12/h5-9,11,13,15-16H,3-4,10H2,1-2H3/q+1