4-tert-butylcyclooctane-1,3-dione

Systemtic Name: 4-tert-butylcyclooctane-1,3-dione Openeye Name: 4-tert-butylcyclooctane-1,3-dione CAS Name: 4-tert-butylcyclooctane-1,3-dione IUPAC Name: 4-tert-butylcyclooctane-1,3-dione Traditional Name: 4-tert-butylcyclooctane-1,3-quinone Formula: C12H20O2 MolecularWeight: 196.286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCCCC(=O)CC1=O

Isomeric SMILES

CC(C)(C)C1CCCCC(=O)CC1=O

InChI

InChI=1S/C12H20O2/c1-12(2,3)10-7-5-4-6-9(13)8-11(10)14/h10H,4-8H2,1-3H3