(4-methyl-6-phenyl-4,5-dihydro-1,3,2-dioxaborinin-1-ium-2-yl) ethanoate

Systemtic Name: (4-methyl-6-phenyl-4,5-dihydro-1,3,2-dioxaborinin-1-ium-2-yl) ethanoate Openeye Name: (4-methyl-6-phenyl-4,5-dihydro-1,3,2-dioxaborinin-1-ium-2-yl) acetate CAS Name: acetic acid (4-methyl-6-phenyl-4,5-dihydro-1,3,2-dioxaborin-1-ium-2-yl) ester IUPAC Name: (4-methyl-6-phenyl-4,5-dihydro-1,3,2-dioxaborinin-1-ium-2-yl) acetate Traditional Name: acetic acid (4-methyl-6-phenyl-4,5-dihydro-1,3,2-dioxaborin-1-ium-2-yl) ester Formula: C12H14BO4+ MolecularWeight: 233.04816

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC(CC(=[O+]1)C2=CC=CC=C2)C)OC(=O)C

Isomeric SMILES

B1(OC(CC(=[O+]1)C2=CC=CC=C2)C)OC(=O)C

InChI

InChI=1S/C12H14BO4/c1-9-8-12(11-6-4-3-5-7-11)17-13(15-9)16-10(2)14/h3-7,9H,8H2,1-2H3/q+1