(5E)-2-heptyl-5-[(4-methylsulfanylphenyl)methylidene]cyclopentan-1-one

Systemtic Name: (5E)-2-heptyl-5-[(4-methylsulfanylphenyl)methylidene]cyclopentan-1-one Openeye Name: (5E)-2-heptyl-5-[(4-methylsulfanylphenyl)methylene]cyclopentanone CAS Name: (5E)-2-heptyl-5-[[4-(methylthio)phenyl]methylidene]-1-cyclopentanone IUPAC Name: (5E)-2-heptyl-5-[(4-methylsulfanylphenyl)methylidene]cyclopentan-1-one Traditional Name: (5E)-2-heptyl-5-[4-(methylthio)benzylidene]cyclopentanone Formula: C20H28OS MolecularWeight: 316.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(=CC2=CC=C(C=C2)SC)C1=O

Isomeric SMILES

CCCCCCCC1CC/C(=C\C2=CC=C(C=C2)SC)/C1=O

InChI

InChI=1S/C20H28OS/c1-3-4-5-6-7-8-17-11-12-18(20(17)21)15-16-9-13-19(22-2)14-10-16/h9-10,13-15,17H,3-8,11-12H2,1-2H3/b18-15+