[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl propanoate

Systemtic Name: [2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl propanoate Openeye Name: (2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl propanoate CAS Name: propanoic acid (2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)methyl ester IUPAC Name: (2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl propanoate Traditional Name: propionic acid (3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC1=C(C(=O)C(=C(C1=O)C)C)C

Isomeric SMILES

CCC(=O)OCC1=C(C(=O)C(=C(C1=O)C)C)C

InChI

InChI=1S/C13H16O4/c1-5-11(14)17-6-10-9(4)12(15)7(2)8(3)13(10)16/h5-6H2,1-4H3