3-[4-[2,4-bis(chloranyl)phenoxy]but-2-ynylsulfanyl]-5,5-dimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-[4-[2,4-bis(chloranyl)phenoxy]but-2-ynylsulfanyl]-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 3-[4-(2,4-dichlorophenoxy)but-2-ynylsulfanyl]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-[4-(2,4-dichlorophenoxy)but-2-ynylthio]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-[4-(2,4-dichlorophenoxy)but-2-ynylsulfanyl]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-[4-(2,4-dichlorophenoxy)but-2-ynylthio]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C18H18Cl2O2S MolecularWeight: 369.30532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)SCC#CCOC2=C(C=C(C=C2)Cl)Cl)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)SCC#CCOC2=C(C=C(C=C2)Cl)Cl)C

InChI

InChI=1S/C18H18Cl2O2S/c1-18(2)11-14(21)10-15(12-18)23-8-4-3-7-22-17-6-5-13(19)9-16(17)20/h5-6,9-10H,7-8,11-12H2,1-2H3