(E)-1-(4-methylsulfanylphenyl)tetradec-1-en-3-one

Systemtic Name: (E)-1-(4-methylsulfanylphenyl)tetradec-1-en-3-one Openeye Name: (E)-1-(4-methylsulfanylphenyl)tetradec-1-en-3-one CAS Name: (E)-1-[4-(methylthio)phenyl]-1-tetradecen-3-one IUPAC Name: (E)-1-(4-methylsulfanylphenyl)tetradec-1-en-3-one Traditional Name: (E)-1-[4-(methylthio)phenyl]tetradec-1-en-3-one Formula: C21H32OS MolecularWeight: 332.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C=CC1=CC=C(C=C1)SC

Isomeric SMILES

CCCCCCCCCCCC(=O)/C=C/C1=CC=C(C=C1)SC

InChI

InChI=1S/C21H32OS/c1-3-4-5-6-7-8-9-10-11-12-20(22)16-13-19-14-17-21(23-2)18-15-19/h13-18H,3-12H2,1-2H3/b16-13+