4-[2-(3,4-dichlorophenyl)sulfanylethyl]-3-oxidanyl-2-propanoyl-cyclohex-2-en-1-one

Systemtic Name: 4-[2-(3,4-dichlorophenyl)sulfanylethyl]-3-oxidanyl-2-propanoyl-cyclohex-2-en-1-one Openeye Name: 4-[2-(3,4-dichlorophenyl)sulfanylethyl]-3-hydroxy-2-propanoyl-cyclohex-2-en-1-one CAS Name: 4-[2-[(3,4-dichlorophenyl)thio]ethyl]-3-hydroxy-2-(1-oxopropyl)-1-cyclohex-2-enone IUPAC Name: 4-[2-(3,4-dichlorophenyl)sulfanylethyl]-3-hydroxy-2-propanoylcyclohex-2-en-1-one Traditional Name: 4-[2-[(3,4-dichlorophenyl)thio]ethyl]-3-hydroxy-2-propionyl-cyclohex-2-en-1-one Formula: C17H18Cl2O3S MolecularWeight: 373.29402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(CCC1=O)CCSC2=CC(=C(C=C2)Cl)Cl)O

Isomeric SMILES

CCC(=O)C1=C(C(CCC1=O)CCSC2=CC(=C(C=C2)Cl)Cl)O

InChI

InChI=1S/C17H18Cl2O3S/c1-2-14(20)16-15(21)6-3-10(17(16)22)7-8-23-11-4-5-12(18)13(19)9-11/h4-5,9-10,22H,2-3,6-8H2,1H3