O1-(2,6-ditert-butyl-4-methyl-phenyl) O5-methyl 2-bromanylpentanedioate

Systemtic Name: O1-(2,6-ditert-butyl-4-methyl-phenyl) O5-methyl 2-bromanylpentanedioate Openeye Name: O1-(2,6-ditert-butyl-4-methyl-phenyl) O5-methyl 2-bromopentanedioate CAS Name: 2-bromopentanedioic acid O1-(2,6-ditert-butyl-4-methylphenyl) ester O5-methyl ester IUPAC Name: 1-O-(2,6-ditert-butyl-4-methylphenyl) 5-O-methyl 2-bromopentanedioate Traditional Name: 2-bromoglutaric acid O1-(2,6-ditert-butyl-4-methyl-phenyl) ester O5-methyl ester Formula: C21H31BrO4 MolecularWeight: 427.37244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)C(CCC(=O)OC)Br)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)C(CCC(=O)OC)Br)C(C)(C)C

InChI

InChI=1S/C21H31BrO4/c1-13-11-14(20(2,3)4)18(15(12-13)21(5,6)7)26-19(24)16(22)9-10-17(23)25-8/h11-12,16H,9-10H2,1-8H3