(6-octoxy-3-phenyl-2,4,7-trioxa-3-borabicyclo[3.3.1]nonan-9-yl) ethanoate

Systemtic Name: (6-octoxy-3-phenyl-2,4,7-trioxa-3-borabicyclo[3.3.1]nonan-9-yl) ethanoate Openeye Name: (6-octoxy-3-phenyl-2,4,7-trioxa-3-borabicyclo[3.3.1]nonan-9-yl) acetate CAS Name: acetic acid (6-octoxy-3-phenyl-2,4,7-trioxa-3-borabicyclo[3.3.1]nonan-9-yl) ester IUPAC Name: (6-octoxy-3-phenyl-2,4,7-trioxa-3-borabicyclo[3.3.1]nonan-9-yl) acetate Traditional Name: acetic acid (6-octoxy-3-phenyl-2,4,7-trioxa-3-borabicyclo[3.3.1]nonan-9-yl) ester Formula: C21H31BO6 MolecularWeight: 390.27824

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC2COC(C(C2OC(=O)C)O1)OCCCCCCCC)C3=CC=CC=C3

Isomeric SMILES

B1(OC2COC(C(C2OC(=O)C)O1)OCCCCCCCC)C3=CC=CC=C3

InChI

InChI=1S/C21H31BO6/c1-3-4-5-6-7-11-14-24-21-20-19(26-16(2)23)18(15-25-21)27-22(28-20)17-12-9-8-10-13-17/h8-10,12-13,18-21H,3-7,11,14-15H2,1-2H3