(2,6-dimethylphenyl) 3-bromanyl-4-hexoxy-benzoate

Systemtic Name: (2,6-dimethylphenyl) 3-bromanyl-4-hexoxy-benzoate Openeye Name: (2,6-dimethylphenyl) 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid (2,6-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=C2C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=CC=C2C)C)Br

InChI

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