3,3,4-trimethyloxepane-2,7-dione

Systemtic Name: 3,3,4-trimethyloxepane-2,7-dione Openeye Name: 3,3,4-trimethyloxepane-2,7-dione CAS Name: 3,3,4-trimethyloxepane-2,7-dione IUPAC Name: 3,3,4-trimethyloxepane-2,7-dione Traditional Name: 3,3,4-trimethyloxepane-2,7-quinone Formula: C9H14O3 MolecularWeight: 170.20566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)OC(=O)C1(C)C

Isomeric SMILES

CC1CCC(=O)OC(=O)C1(C)C

InChI

InChI=1S/C9H14O3/c1-6-4-5-7(10)12-8(11)9(6,2)3/h6H,4-5H2,1-3H3