[(2R,4R)-1-bromanyl-4,8-dimethyl-nonan-2-yl] benzoate

Systemtic Name: [(2R,4R)-1-bromanyl-4,8-dimethyl-nonan-2-yl] benzoate Openeye Name: [(1R,3R)-1-(bromomethyl)-3,7-dimethyl-octyl] benzoate CAS Name: benzoic acid [(2R,4R)-1-bromo-4,8-dimethylnonan-2-yl] ester IUPAC Name: [(2R,4R)-1-bromo-4,8-dimethylnonan-2-yl] benzoate Traditional Name: benzoic acid [(1R,3R)-1-(bromomethyl)-3,7-dimethyl-octyl] ester Formula: C18H27BrO2 MolecularWeight: 355.30978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CC(CBr)OC(=O)C1=CC=CC=C1

Isomeric SMILES

C[C@H](CCCC(C)C)C[C@H](CBr)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H27BrO2/c1-14(2)8-7-9-15(3)12-17(13-19)21-18(20)16-10-5-4-6-11-16/h4-6,10-11,14-15,17H,7-9,12-13H2,1-3H3/t15-,17-/m1/s1