O1-methyl O5-(phenylmethyl) 2-(2-bromanyl-2-methyl-3-oxidanylidene-butyl)-2,4,4-trimethyl-pentanedioate

Systemtic Name: O1-methyl O5-(phenylmethyl) 2-(2-bromanyl-2-methyl-3-oxidanylidene-butyl)-2,4,4-trimethyl-pentanedioate Openeye Name: O1-benzyl O5-methyl 4-(2-bromo-2-methyl-3-oxo-butyl)-2,2,4-trimethyl-pentanedioate CAS Name: 2-(2-bromo-2-methyl-3-oxobutyl)-2,4,4-trimethylpentanedioic acid O1-methyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-methyl 2-(2-bromo-2-methyl-3-oxobutyl)-2,4,4-trimethylpentanedioate Traditional Name: 4-(2-bromo-3-keto-2-methyl-butyl)-2,2,4-trimethyl-glutaric acid O1-benzyl ester O5-methyl ester Formula: C21H29BrO5 MolecularWeight: 441.35596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29BrO5/c1-15(23)21(5,22)14-20(4,18(25)26-6)13-19(2,3)17(24)27-12-16-10-8-7-9-11-16/h7-11H,12-14H2,1-6H3