2-(3-bromophenyl)-6-butyl-1,3,6,2-dioxazaborocane

Systemtic Name: 2-(3-bromophenyl)-6-butyl-1,3,6,2-dioxazaborocane Openeye Name: 2-(3-bromophenyl)-6-butyl-1,3,6,2-dioxazaborocane CAS Name: 2-(3-bromophenyl)-6-butyl-1,3,6,2-dioxazaborocane IUPAC Name: 2-(3-bromophenyl)-6-butyl-1,3,6,2-dioxazaborocane Traditional Name: 2-(3-bromophenyl)-6-butyl-1,3,6,2-dioxazaborocane Formula: C14H21BBrNO2 MolecularWeight: 326.03704

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCCN(CCO1)CCCC)C2=CC(=CC=C2)Br

Isomeric SMILES

B1(OCCN(CCO1)CCCC)C2=CC(=CC=C2)Br

InChI

InChI=1S/C14H21BBrNO2/c1-2-3-7-17-8-10-18-15(19-11-9-17)13-5-4-6-14(16)12-13/h4-6,12H,2-3,7-11H2,1H3