(3-methylphenyl) 3-bromanyl-4-butoxy-benzoate

Systemtic Name: (3-methylphenyl) 3-bromanyl-4-butoxy-benzoate Openeye Name: m-tolyl 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid m-tolyl ester Formula: C18H19BrO3 MolecularWeight: 363.24566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C)Br

InChI

InChI=1S/C18H19BrO3/c1-3-4-10-21-17-9-8-14(12-16(17)19)18(20)22-15-7-5-6-13(2)11-15/h5-9,11-12H,3-4,10H2,1-2H3