(2-bromanyl-4-butan-2-yl-phenyl) 4-(2-ethoxyethoxy)benzoate

Systemtic Name: (2-bromanyl-4-butan-2-yl-phenyl) 4-(2-ethoxyethoxy)benzoate Openeye Name: (2-bromo-4-sec-butyl-phenyl) 4-(2-ethoxyethoxy)benzoate CAS Name: 4-(2-ethoxyethoxy)benzoic acid (2-bromo-4-butan-2-ylphenyl) ester IUPAC Name: (2-bromo-4-butan-2-ylphenyl) 4-(2-ethoxyethoxy)benzoate Traditional Name: 4-(2-ethoxyethoxy)benzoic acid (2-bromo-4-sec-butyl-phenyl) ester Formula: C21H25BrO4 MolecularWeight: 421.3248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOCC)Br

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOCC)Br

InChI

InChI=1S/C21H25BrO4/c1-4-15(3)17-8-11-20(19(22)14-17)26-21(23)16-6-9-18(10-7-16)25-13-12-24-5-2/h6-11,14-15H,4-5,12-13H2,1-3H3