O1-methyl O5-(phenylmethyl) 2-bromanyl-2,4,4-trimethyl-pentanedioate

Systemtic Name: O1-methyl O5-(phenylmethyl) 2-bromanyl-2,4,4-trimethyl-pentanedioate Openeye Name: O1-benzyl O5-methyl 4-bromo-2,2,4-trimethyl-pentanedioate CAS Name: 2-bromo-2,4,4-trimethylpentanedioic acid O1-methyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-methyl 2-bromo-2,4,4-trimethylpentanedioate Traditional Name: 4-bromo-2,2,4-trimethyl-glutaric acid O1-benzyl ester O5-methyl ester Formula: C16H21BrO4 MolecularWeight: 357.23954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C)(C(=O)OC)Br)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(CC(C)(C(=O)OC)Br)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H21BrO4/c1-15(2,11-16(3,17)14(19)20-4)13(18)21-10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3