4-ethanoyl-2,2,9,9-tetramethyl-6-oxidanylidene-3-phenyl-decanedioic acid

Systemtic Name: 4-ethanoyl-2,2,9,9-tetramethyl-6-oxidanylidene-3-phenyl-decanedioic acid Openeye Name: 4-acetyl-2,2,9,9-tetramethyl-6-oxo-3-phenyl-decanedioic acid CAS Name: 4-acetyl-2,2,9,9-tetramethyl-6-oxo-3-phenyldecanedioic acid IUPAC Name: 4-acetyl-2,2,9,9-tetramethyl-6-oxo-3-phenyldecanedioic acid Traditional Name: 4-acetyl-6-keto-2,2,9,9-tetramethyl-3-phenyl-sebacic acid Formula: C22H30O6 MolecularWeight: 390.47

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC(=O)CCC(C)(C)C(=O)O)C(C1=CC=CC=C1)C(C)(C)C(=O)O

Isomeric SMILES

CC(=O)C(CC(=O)CCC(C)(C)C(=O)O)C(C1=CC=CC=C1)C(C)(C)C(=O)O

InChI

InChI=1S/C22H30O6/c1-14(23)17(13-16(24)11-12-21(2,3)19(25)26)18(22(4,5)20(27)28)15-9-7-6-8-10-15/h6-10,17-18H,11-13H2,1-5H3,(H,25,26)(H,27,28)