2-[(E)-2-(4-methylphenyl)ethenyl]-1,3,6,2-dioxazaborocane

Systemtic Name: 2-[(E)-2-(4-methylphenyl)ethenyl]-1,3,6,2-dioxazaborocane Openeye Name: 2-[(E)-2-(p-tolyl)vinyl]-1,3,6,2-dioxazaborocane CAS Name: 2-[(E)-2-(4-methylphenyl)ethenyl]-1,3,6,2-dioxazaborocane IUPAC Name: 2-[(E)-2-(4-methylphenyl)ethenyl]-1,3,6,2-dioxazaborocane Traditional Name: 2-[(E)-2-(p-tolyl)vinyl]-1,3,6,2-dioxazaborocane Formula: C13H18BNO2 MolecularWeight: 231.09852

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCCNCCO1)C=CC2=CC=C(C=C2)C

Isomeric SMILES

B1(OCCNCCO1)/C=C/C2=CC=C(C=C2)C

InChI

InChI=1S/C13H18BNO2/c1-12-2-4-13(5-3-12)6-7-14-16-10-8-15-9-11-17-14/h2-7,15H,8-11H2,1H3/b7-6+