O1-tert-butyl O5-(phenylmethyl) 2-bromanylpentanedioate

Systemtic Name: O1-tert-butyl O5-(phenylmethyl) 2-bromanylpentanedioate Openeye Name: O5-benzyl O1-tert-butyl 2-bromopentanedioate CAS Name: 2-bromopentanedioic acid O1-tert-butyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-tert-butyl 2-bromopentanedioate Traditional Name: 2-bromoglutaric acid O5-benzyl ester O1-tert-butyl ester Formula: C16H21BrO4 MolecularWeight: 357.23954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrO4/c1-16(2,3)21-15(19)13(17)9-10-14(18)20-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3