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

Systemtic Name: 5-[(3,5-dimethylphenyl)methyl]-6-(2-hydroxyethyloxymethyl)-4-propan-2-yl-cyclohex-4-ene-1,3-dione Openeye Name: 5-[(3,5-dimethylphenyl)methyl]-6-(2-hydroxyethoxymethyl)-4-isopropyl-cyclohex-4-ene-1,3-dione CAS Name: 5-[(3,5-dimethylphenyl)methyl]-6-(2-hydroxyethoxymethyl)-4-propan-2-ylcyclohex-4-ene-1,3-dione IUPAC Name: 5-[(3,5-dimethylphenyl)methyl]-6-(2-hydroxyethoxymethyl)-4-propan-2-ylcyclohex-4-ene-1,3-dione Traditional Name: 5-(3,5-dimethylbenzyl)-6-(2-hydroxyethoxymethyl)-4-isopropyl-cyclohex-4-ene-1,3-quinone Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC2=C(C(=O)CC(=O)C2COCCO)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC2=C(C(=O)CC(=O)C2COCCO)C(C)C)C

InChI

InChI=1S/C21H28O4/c1-13(2)21-17(10-16-8-14(3)7-15(4)9-16)18(12-25-6-5-22)19(23)11-20(21)24/h7-9,13,18,22H,5-6,10-12H2,1-4H3