(2,5-dimethylphenyl) 3-bromanyl-4-hexoxy-benzoate

Systemtic Name: (2,5-dimethylphenyl) 3-bromanyl-4-hexoxy-benzoate Openeye Name: (2,5-dimethylphenyl) 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid (2,5-dimethylphenyl) ester Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=CC(=C2)C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=CC(=C2)C)C)Br

InChI

InChI=1S/C21H25BrO3/c1-4-5-6-7-12-24-19-11-10-17(14-18(19)22)21(23)25-20-13-15(2)8-9-16(20)3/h8-11,13-14H,4-7,12H2,1-3H3