methyl 4-bromanyl-2-propyl-benzoate

Systemtic Name: methyl 4-bromanyl-2-propyl-benzoate Openeye Name: methyl 4-bromo-2-propyl-benzoate CAS Name: 4-bromo-2-propylbenzoic acid methyl ester IUPAC Name: methyl 4-bromo-2-propylbenzoate Traditional Name: 4-bromo-2-propyl-benzoic acid methyl ester Formula: C11H13BrO2 MolecularWeight: 257.12372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)Br)C(=O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1)Br)C(=O)OC

InChI

InChI=1S/C11H13BrO2/c1-3-4-8-7-9(12)5-6-10(8)11(13)14-2/h5-7H,3-4H2,1-2H3