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

Systemtic Name: 5-(3-ethanoylphenyl)sulfanyl-6-(2-hydroxyethyloxymethyl)-4-methyl-cyclohex-4-ene-1,3-dione Openeye Name: 5-(3-acetylphenyl)sulfanyl-6-(2-hydroxyethoxymethyl)-4-methyl-cyclohex-4-ene-1,3-dione CAS Name: 5-[(3-acetylphenyl)thio]-6-(2-hydroxyethoxymethyl)-4-methylcyclohex-4-ene-1,3-dione IUPAC Name: 5-(3-acetylphenyl)sulfanyl-6-(2-hydroxyethoxymethyl)-4-methylcyclohex-4-ene-1,3-dione Traditional Name: 5-[(3-acetylphenyl)thio]-6-(2-hydroxyethoxymethyl)-4-methyl-cyclohex-4-ene-1,3-quinone Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)CC1=O)COCCO)SC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CC1=C(C(C(=O)CC1=O)COCCO)SC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C18H20O5S/c1-11-16(21)9-17(22)15(10-23-7-6-19)18(11)24-14-5-3-4-13(8-14)12(2)20/h3-5,8,15,19H,6-7,9-10H2,1-2H3