(4-bromanyl-2,6-dimethyl-phenyl) 3-butoxybenzoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 3-butoxybenzoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 3-butoxybenzoate CAS Name: 3-butoxybenzoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 3-butoxybenzoate Traditional Name: 3-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=CC(=C1)C(=O)OC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

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

InChI

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