2-butyl-3-tert-butyl-5-(2-butyl-4H-1,3,2-benzodioxaborinin-6-yl)-1,3,2-oxazaborolidine

Systemtic Name: 2-butyl-3-tert-butyl-5-(2-butyl-4H-1,3,2-benzodioxaborinin-6-yl)-1,3,2-oxazaborolidine Openeye Name: 2-butyl-3-tert-butyl-5-(2-butyl-4H-1,3,2-benzodioxaborinin-6-yl)-1,3,2-oxazaborolidine CAS Name: 2-butyl-3-tert-butyl-5-(2-butyl-4H-1,3,2-benzodioxaborin-6-yl)-1,3,2-oxazaborolidine IUPAC Name: 2-butyl-3-tert-butyl-5-(2-butyl-4H-1,3,2-benzodioxaborinin-6-yl)-1,3,2-oxazaborolidine Traditional Name: 2-butyl-3-tert-butyl-5-(2-butyl-4H-1,3,2-benzodioxaborin-6-yl)-1,3,2-oxazaborolidine Formula: C21H35B2NO3 MolecularWeight: 371.1295

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Descriptors Computed from Structure

Canonical SMILES:

B1(N(CC(O1)C2=CC3=C(C=C2)OB(OC3)CCCC)C(C)(C)C)CCCC

Isomeric SMILES

B1(N(CC(O1)C2=CC3=C(C=C2)OB(OC3)CCCC)C(C)(C)C)CCCC

InChI

InChI=1S/C21H35B2NO3/c1-6-8-12-22-24(21(3,4)5)15-20(26-22)17-10-11-19-18(14-17)16-25-23(27-19)13-9-7-2/h10-11,14,20H,6-9,12-13,15-16H2,1-5H3