5-(3,5-dimethylphenyl)sulfanyl-6-(ethoxymethyl)-4-ethyl-cyclohex-4-ene-1,3-dione

Systemtic Name: 5-(3,5-dimethylphenyl)sulfanyl-6-(ethoxymethyl)-4-ethyl-cyclohex-4-ene-1,3-dione Openeye Name: 5-(3,5-dimethylphenyl)sulfanyl-6-(ethoxymethyl)-4-ethyl-cyclohex-4-ene-1,3-dione CAS Name: 5-[(3,5-dimethylphenyl)thio]-6-(ethoxymethyl)-4-ethylcyclohex-4-ene-1,3-dione IUPAC Name: 5-(3,5-dimethylphenyl)sulfanyl-6-(ethoxymethyl)-4-ethylcyclohex-4-ene-1,3-dione Traditional Name: 5-[(3,5-dimethylphenyl)thio]-6-(ethoxymethyl)-4-ethyl-cyclohex-4-ene-1,3-quinone Formula: C19H24O3S MolecularWeight: 332.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=O)CC1=O)COCC)SC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCC1=C(C(C(=O)CC1=O)COCC)SC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C19H24O3S/c1-5-15-17(20)10-18(21)16(11-22-6-2)19(15)23-14-8-12(3)7-13(4)9-14/h7-9,16H,5-6,10-11H2,1-4H3