5-[3,5-bis(chloranyl)phenyl]sulfanyl-6-(2-hydroxyethyloxymethyl)-4-methyl-cyclohex-4-ene-1,3-dione

Systemtic Name: 5-[3,5-bis(chloranyl)phenyl]sulfanyl-6-(2-hydroxyethyloxymethyl)-4-methyl-cyclohex-4-ene-1,3-dione Openeye Name: 5-(3,5-dichlorophenyl)sulfanyl-6-(2-hydroxyethoxymethyl)-4-methyl-cyclohex-4-ene-1,3-dione CAS Name: 5-[(3,5-dichlorophenyl)thio]-6-(2-hydroxyethoxymethyl)-4-methylcyclohex-4-ene-1,3-dione IUPAC Name: 5-(3,5-dichlorophenyl)sulfanyl-6-(2-hydroxyethoxymethyl)-4-methylcyclohex-4-ene-1,3-dione Traditional Name: 5-[(3,5-dichlorophenyl)thio]-6-(2-hydroxyethoxymethyl)-4-methyl-cyclohex-4-ene-1,3-quinone Formula: C16H16Cl2O4S MolecularWeight: 375.26684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16Cl2O4S/c1-9-14(20)7-15(21)13(8-22-3-2-19)16(9)23-12-5-10(17)4-11(18)6-12/h4-6,13,19H,2-3,7-8H2,1H3