3-chloranyl-1-(4-hexoxy-3-methylsulfanyl-phenyl)propan-1-one

Systemtic Name: 3-chloranyl-1-(4-hexoxy-3-methylsulfanyl-phenyl)propan-1-one Openeye Name: 3-chloro-1-(4-hexoxy-3-methylsulfanyl-phenyl)propan-1-one CAS Name: 3-chloro-1-[4-hexoxy-3-(methylthio)phenyl]-1-propanone IUPAC Name: 3-chloro-1-(4-hexoxy-3-methylsulfanylphenyl)propan-1-one Traditional Name: 3-chloro-1-[4-hexoxy-3-(methylthio)phenyl]propan-1-one Formula: C16H23ClO2S MolecularWeight: 314.87062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)CCCl)SC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)CCCl)SC

InChI

InChI=1S/C16H23ClO2S/c1-3-4-5-6-11-19-15-8-7-13(12-16(15)20-2)14(18)9-10-17/h7-8,12H,3-6,9-11H2,1-2H3