(2,6-ditert-butyl-4-methyl-phenyl) 2-bromanylhexanoate

Systemtic Name: (2,6-ditert-butyl-4-methyl-phenyl) 2-bromanylhexanoate Openeye Name: (2,6-ditert-butyl-4-methyl-phenyl) 2-bromohexanoate CAS Name: 2-bromohexanoic acid (2,6-ditert-butyl-4-methylphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylphenyl) 2-bromohexanoate Traditional Name: 2-bromohexanoic acid (2,6-ditert-butyl-4-methyl-phenyl) ester Formula: C21H33BrO2 MolecularWeight: 397.38952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC1=C(C=C(C=C1C(C)(C)C)C)C(C)(C)C)Br

Isomeric SMILES

CCCCC(C(=O)OC1=C(C=C(C=C1C(C)(C)C)C)C(C)(C)C)Br

InChI

InChI=1S/C21H33BrO2/c1-9-10-11-17(22)19(23)24-18-15(20(3,4)5)12-14(2)13-16(18)21(6,7)8/h12-13,17H,9-11H2,1-8H3