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

Systemtic Name: (3-methylphenyl) 3-bromanyl-4-propoxy-benzoate Openeye Name: m-tolyl 3-bromo-4-propoxy-benzoate CAS Name: 3-bromo-4-propoxybenzoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 3-bromo-4-propoxybenzoate Traditional Name: 3-bromo-4-propoxy-benzoic acid m-tolyl ester Formula: C17H17BrO3 MolecularWeight: 349.21908

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C)Br

InChI

InChI=1S/C17H17BrO3/c1-3-9-20-16-8-7-13(11-15(16)18)17(19)21-14-6-4-5-12(2)10-14/h4-8,10-11H,3,9H2,1-2H3