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

Systemtic Name: 5-(3-fluorophenyl)sulfanyl-6-(2-hydroxyethyloxymethyl)-4-methyl-cyclohex-4-ene-1,3-dione Openeye Name: 5-(3-fluorophenyl)sulfanyl-6-(2-hydroxyethoxymethyl)-4-methyl-cyclohex-4-ene-1,3-dione CAS Name: 5-[(3-fluorophenyl)thio]-6-(2-hydroxyethoxymethyl)-4-methylcyclohex-4-ene-1,3-dione IUPAC Name: 5-(3-fluorophenyl)sulfanyl-6-(2-hydroxyethoxymethyl)-4-methylcyclohex-4-ene-1,3-dione Traditional Name: 5-[(3-fluorophenyl)thio]-6-(2-hydroxyethoxymethyl)-4-methyl-cyclohex-4-ene-1,3-quinone Formula: C16H17FO4S MolecularWeight: 324.367183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FO4S/c1-10-14(19)8-15(20)13(9-21-6-5-18)16(10)22-12-4-2-3-11(17)7-12/h2-4,7,13,18H,5-6,8-9H2,1H3