octan-2-yl 2-bromanylbenzoate

Systemtic Name: octan-2-yl 2-bromanylbenzoate Openeye Name: 1-methylheptyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid 1-methylheptyl ester Formula: C15H21BrO2 MolecularWeight: 313.23004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C15H21BrO2/c1-3-4-5-6-9-12(2)18-15(17)13-10-7-8-11-14(13)16/h7-8,10-12H,3-6,9H2,1-2H3