5-tert-butyl-3-(2-oxidanylidenepropyl)cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 5-tert-butyl-3-(2-oxidanylidenepropyl)cyclohexa-3,5-diene-1,2-dione Openeye Name: 3-acetonyl-5-tert-butyl-1,2-benzoquinone CAS Name: 5-tert-butyl-3-(2-oxopropyl)cyclohexa-3,5-diene-1,2-dione IUPAC Name: 5-tert-butyl-3-(2-oxopropyl)cyclohexa-3,5-diene-1,2-dione Traditional Name: 3-acetonyl-5-tert-butyl-o-benzoquinone Formula: C13H16O3 MolecularWeight: 220.26434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC(=CC(=O)C1=O)C(C)(C)C

Isomeric SMILES

CC(=O)CC1=CC(=CC(=O)C1=O)C(C)(C)C

InChI

InChI=1S/C13H16O3/c1-8(14)5-9-6-10(13(2,3)4)7-11(15)12(9)16/h6-7H,5H2,1-4H3