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

Systemtic Name: 5-(3,5-dimethylphenyl)sulfanyl-6-(2-hydroxyethyloxymethyl)-4-methyl-cyclohex-4-ene-1,3-dione Openeye Name: 5-(3,5-dimethylphenyl)sulfanyl-6-(2-hydroxyethoxymethyl)-4-methyl-cyclohex-4-ene-1,3-dione CAS Name: 5-[(3,5-dimethylphenyl)thio]-6-(2-hydroxyethoxymethyl)-4-methylcyclohex-4-ene-1,3-dione IUPAC Name: 5-(3,5-dimethylphenyl)sulfanyl-6-(2-hydroxyethoxymethyl)-4-methylcyclohex-4-ene-1,3-dione Traditional Name: 5-[(3,5-dimethylphenyl)thio]-6-(2-hydroxyethoxymethyl)-4-methyl-cyclohex-4-ene-1,3-quinone Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(C(=O)CC(=O)C2COCCO)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(C(=O)CC(=O)C2COCCO)C)C

InChI

InChI=1S/C18H22O4S/c1-11-6-12(2)8-14(7-11)23-18-13(3)16(20)9-17(21)15(18)10-22-5-4-19/h6-8,15,19H,4-5,9-10H2,1-3H3