(4-bromanyl-2,6-dimethyl-phenyl) 4-butoxybenzoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 4-butoxybenzoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C19H21BrO3 MolecularWeight: 377.27224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C19H21BrO3/c1-4-5-10-22-17-8-6-15(7-9-17)19(21)23-18-13(2)11-16(20)12-14(18)3/h6-9,11-12H,4-5,10H2,1-3H3