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

Systemtic Name: O1-(2-hydroxyethyl) O5-(phenylmethyl) 2-(2-bromanyl-2-methyl-3-oxidanylidene-butyl)-2,4,4-trimethyl-pentanedioate Openeye Name: O1-benzyl O5-(2-hydroxyethyl) 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-(2-hydroxyethyl) ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-(2-hydroxyethyl) 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-(2-hydroxyethyl) ester Formula: C22H31BrO6 MolecularWeight: 471.38194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31BrO6/c1-16(25)22(5,23)15-21(4,19(27)28-12-11-24)14-20(2,3)18(26)29-13-17-9-7-6-8-10-17/h6-10,24H,11-15H2,1-5H3