(4-bromanyl-2-tert-butyl-phenyl) 3-butoxybenzoate

Systemtic Name: (4-bromanyl-2-tert-butyl-phenyl) 3-butoxybenzoate Openeye Name: (4-bromo-2-tert-butyl-phenyl) 3-butoxybenzoate CAS Name: 3-butoxybenzoic acid (4-bromo-2-tert-butylphenyl) ester IUPAC Name: (4-bromo-2-tert-butylphenyl) 3-butoxybenzoate Traditional Name: 3-butoxybenzoic acid (4-bromo-2-tert-butyl-phenyl) ester Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)C(C)(C)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)C(C)(C)C

InChI

InChI=1S/C21H25BrO3/c1-5-6-12-24-17-9-7-8-15(13-17)20(23)25-19-11-10-16(22)14-18(19)21(2,3)4/h7-11,13-14H,5-6,12H2,1-4H3