7-[2-(4-methylsulfanylphenyl)ethoxy]heptan-2-one

Systemtic Name: 7-[2-(4-methylsulfanylphenyl)ethoxy]heptan-2-one Openeye Name: 7-[2-(4-methylsulfanylphenyl)ethoxy]heptan-2-one CAS Name: 7-[2-[4-(methylthio)phenyl]ethoxy]-2-heptanone IUPAC Name: 7-[2-(4-methylsulfanylphenyl)ethoxy]heptan-2-one Traditional Name: 7-[2-[4-(methylthio)phenyl]ethoxy]heptan-2-one Formula: C16H24O2S MolecularWeight: 280.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCCOCCC1=CC=C(C=C1)SC

Isomeric SMILES

CC(=O)CCCCCOCCC1=CC=C(C=C1)SC

InChI

InChI=1S/C16H24O2S/c1-14(17)6-4-3-5-12-18-13-11-15-7-9-16(19-2)10-8-15/h7-10H,3-6,11-13H2,1-2H3