5-[(3,5-dimethylphenyl)methyl]-6-(ethoxymethyl)-4-propan-2-yl-cyclohex-4-ene-1,3-dione

Systemtic Name: 5-[(3,5-dimethylphenyl)methyl]-6-(ethoxymethyl)-4-propan-2-yl-cyclohex-4-ene-1,3-dione Openeye Name: 5-[(3,5-dimethylphenyl)methyl]-6-(ethoxymethyl)-4-isopropyl-cyclohex-4-ene-1,3-dione CAS Name: 5-[(3,5-dimethylphenyl)methyl]-6-(ethoxymethyl)-4-propan-2-ylcyclohex-4-ene-1,3-dione IUPAC Name: 5-[(3,5-dimethylphenyl)methyl]-6-(ethoxymethyl)-4-propan-2-ylcyclohex-4-ene-1,3-dione Traditional Name: 5-(3,5-dimethylbenzyl)-6-(ethoxymethyl)-4-isopropyl-cyclohex-4-ene-1,3-quinone Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1C(=O)CC(=O)C(=C1CC2=CC(=CC(=C2)C)C)C(C)C

Isomeric SMILES

CCOCC1C(=O)CC(=O)C(=C1CC2=CC(=CC(=C2)C)C)C(C)C

InChI

InChI=1S/C21H28O3/c1-6-24-12-18-17(10-16-8-14(4)7-15(5)9-16)21(13(2)3)20(23)11-19(18)22/h7-9,13,18H,6,10-12H2,1-5H3