[4-(9-borabicyclo[3.3.1]nonan-9-yl)-3-methyl-butyl] benzoate

Systemtic Name: [4-(9-borabicyclo[3.3.1]nonan-9-yl)-3-methyl-butyl] benzoate Openeye Name: [4-(9-borabicyclo[3.3.1]nonan-9-yl)-3-methyl-butyl] benzoate CAS Name: benzoic acid [4-(9-borabicyclo[3.3.1]nonan-9-yl)-3-methylbutyl] ester IUPAC Name: [4-(9-borabicyclo[3.3.1]nonan-9-yl)-3-methylbutyl] benzoate Traditional Name: benzoic acid [4-(9-borabicyclo[3.3.1]nonan-9-yl)-3-methyl-butyl] ester Formula: C20H29BO2 MolecularWeight: 312.25406

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Descriptors Computed from Structure

Canonical SMILES:

B1(C2CCCC1CCC2)CC(C)CCOC(=O)C3=CC=CC=C3

Isomeric SMILES

B1(C2CCCC1CCC2)CC(C)CCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H29BO2/c1-16(13-14-23-20(22)17-7-3-2-4-8-17)15-21-18-9-5-10-19(21)12-6-11-18/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3