(4-tert-butyl-2-methyl-phenyl) 3-bromanyl-4-propoxy-benzoate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 3-bromanyl-4-propoxy-benzoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 3-bromo-4-propoxy-benzoate CAS Name: 3-bromo-4-propoxybenzoic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 3-bromo-4-propoxybenzoate Traditional Name: 3-bromo-4-propoxy-benzoic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(C)(C)C)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(C)(C)C)C)Br

InChI

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