3-[(2-ethylphenyl)methyl]-4-methyl-oxolane-2,5-dione

Systemtic Name: 3-[(2-ethylphenyl)methyl]-4-methyl-oxolane-2,5-dione Openeye Name: 3-[(2-ethylphenyl)methyl]-4-methyl-tetrahydrofuran-2,5-dione CAS Name: 3-[(2-ethylphenyl)methyl]-4-methyloxolane-2,5-dione IUPAC Name: 3-[(2-ethylphenyl)methyl]-4-methyloxolane-2,5-dione Traditional Name: 3-(2-ethylbenzyl)-4-methyl-tetrahydrofuran-2,5-quinone Formula: C14H16O3 MolecularWeight: 232.27504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CC2C(C(=O)OC2=O)C

Isomeric SMILES

CCC1=CC=CC=C1CC2C(C(=O)OC2=O)C

InChI

InChI=1S/C14H16O3/c1-3-10-6-4-5-7-11(10)8-12-9(2)13(15)17-14(12)16/h4-7,9,12H,3,8H2,1-2H3