5-[(3,5-dimethylphenyl)methyl]-4-ethyl-6-(2-hydroxyethyloxymethyl)cyclohex-4-ene-1,3-dione

Systemtic Name: 5-[(3,5-dimethylphenyl)methyl]-4-ethyl-6-(2-hydroxyethyloxymethyl)cyclohex-4-ene-1,3-dione Openeye Name: 5-[(3,5-dimethylphenyl)methyl]-4-ethyl-6-(2-hydroxyethoxymethyl)cyclohex-4-ene-1,3-dione CAS Name: 5-[(3,5-dimethylphenyl)methyl]-4-ethyl-6-(2-hydroxyethoxymethyl)cyclohex-4-ene-1,3-dione IUPAC Name: 5-[(3,5-dimethylphenyl)methyl]-4-ethyl-6-(2-hydroxyethoxymethyl)cyclohex-4-ene-1,3-dione Traditional Name: 5-(3,5-dimethylbenzyl)-4-ethyl-6-(2-hydroxyethoxymethyl)cyclohex-4-ene-1,3-quinone Formula: C20H26O4 MolecularWeight: 330.41804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=O)CC1=O)COCCO)CC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCC1=C(C(C(=O)CC1=O)COCCO)CC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C20H26O4/c1-4-16-17(10-15-8-13(2)7-14(3)9-15)18(12-24-6-5-21)20(23)11-19(16)22/h7-9,18,21H,4-6,10-12H2,1-3H3