3-[(2-chloranyl-5-fluoranyl-phenyl)methyl]-1,1-dimethoxy-4,4-bis(methylsulfanyl)but-3-en-2-one

Systemtic Name: 3-[(2-chloranyl-5-fluoranyl-phenyl)methyl]-1,1-dimethoxy-4,4-bis(methylsulfanyl)but-3-en-2-one Openeye Name: 3-[(2-chloro-5-fluoro-phenyl)methyl]-1,1-dimethoxy-4,4-bis(methylsulfanyl)but-3-en-2-one CAS Name: 3-[(2-chloro-5-fluorophenyl)methyl]-1,1-dimethoxy-4,4-bis(methylthio)-3-buten-2-one IUPAC Name: 3-[(2-chloro-5-fluorophenyl)methyl]-1,1-dimethoxy-4,4-bis(methylsulfanyl)but-3-en-2-one Traditional Name: 3-(2-chloro-5-fluoro-benzyl)-1,1-dimethoxy-4,4-bis(methylthio)but-3-en-2-one Formula: C15H18ClFO3S2 MolecularWeight: 364.883023

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(=O)C(=C(SC)SC)CC1=C(C=CC(=C1)F)Cl)OC

Isomeric SMILES

COC(C(=O)C(=C(SC)SC)CC1=C(C=CC(=C1)F)Cl)OC

InChI

InChI=1S/C15H18ClFO3S2/c1-19-14(20-2)13(18)11(15(21-3)22-4)8-9-7-10(17)5-6-12(9)16/h5-7,14H,8H2,1-4H3