5-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 5-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-(1-hydroxypropylidene)cyclohexane-1,3-dione CAS Name: 5-[2-[(3,4-dichlorophenyl)thio]ethyl]-2-(1-hydroxypropylidene)cyclohexane-1,3-dione IUPAC Name: 5-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-(1-hydroxypropylidene)cyclohexane-1,3-dione Traditional Name: 5-[2-[(3,4-dichlorophenyl)thio]ethyl]-2-(1-hydroxypropylidene)cyclohexane-1,3-quinone Formula: C17H18Cl2O3S MolecularWeight: 373.29402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)CCSC2=CC(=C(C=C2)Cl)Cl)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)CCSC2=CC(=C(C=C2)Cl)Cl)O

InChI

InChI=1S/C17H18Cl2O3S/c1-2-14(20)17-15(21)7-10(8-16(17)22)5-6-23-11-3-4-12(18)13(19)9-11/h3-4,9-10,20H,2,5-8H2,1H3