2-(2-ethynylphenyl)-6-methyl-1,3,6,2-dioxazaborocane

Systemtic Name: 2-(2-ethynylphenyl)-6-methyl-1,3,6,2-dioxazaborocane Openeye Name: 2-(2-ethynylphenyl)-6-methyl-1,3,6,2-dioxazaborocane CAS Name: 2-(2-ethynylphenyl)-6-methyl-1,3,6,2-dioxazaborocane IUPAC Name: 2-(2-ethynylphenyl)-6-methyl-1,3,6,2-dioxazaborocane Traditional Name: 2-(2-ethynylphenyl)-6-methyl-1,3,6,2-dioxazaborocane Formula: C13H16BNO2 MolecularWeight: 229.08264

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCCN(CCO1)C)C2=CC=CC=C2C#C

Isomeric SMILES

B1(OCCN(CCO1)C)C2=CC=CC=C2C#C

InChI

InChI=1S/C13H16BNO2/c1-3-12-6-4-5-7-13(12)14-16-10-8-15(2)9-11-17-14/h1,4-7H,8-11H2,2H3