O1-iodanyl O4-(5,7,7-trimethyloctyl) 2-(4,4-dimethylpentan-2-yl)-2-oxidanyl-butanedioate

Systemtic Name: O1-iodanyl O4-(5,7,7-trimethyloctyl) 2-(4,4-dimethylpentan-2-yl)-2-oxidanyl-butanedioate Openeye Name: O1-iodo O4-(5,7,7-trimethyloctyl) 2-hydroxy-2-(1,3,3-trimethylbutyl)butanedioate CAS Name: 2-(4,4-dimethylpentan-2-yl)-2-hydroxybutanedioic acid O1-iodo ester O4-(5,7,7-trimethyloctyl) ester IUPAC Name: 1-O-iodo 4-O-(5,7,7-trimethyloctyl) 2-(4,4-dimethylpentan-2-yl)-2-hydroxybutanedioate Traditional Name: 2-hydroxy-2-(1,3,3-trimethylbutyl)succinic acid O1-iodo ester O4-(5,7,7-trimethyloctyl) ester Formula: C22H41IO5 MolecularWeight: 512.46241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCOC(=O)CC(C(C)CC(C)(C)C)(C(=O)OI)O)CC(C)(C)C

Isomeric SMILES

CC(CCCCOC(=O)CC(C(C)CC(C)(C)C)(C(=O)OI)O)CC(C)(C)C

InChI

InChI=1S/C22H41IO5/c1-16(13-20(3,4)5)11-9-10-12-27-18(24)15-22(26,19(25)28-23)17(2)14-21(6,7)8/h16-17,26H,9-15H2,1-8H3