(E)-4-(1-methylsulfanylcyclohexyl)but-3-en-2-one

Systemtic Name: (E)-4-(1-methylsulfanylcyclohexyl)but-3-en-2-one Openeye Name: (E)-4-(1-methylsulfanylcyclohexyl)but-3-en-2-one CAS Name: (E)-4-[1-(methylthio)cyclohexyl]-3-buten-2-one IUPAC Name: (E)-4-(1-methylsulfanylcyclohexyl)but-3-en-2-one Traditional Name: (E)-4-[1-(methylthio)cyclohexyl]but-3-en-2-one Formula: C11H18OS MolecularWeight: 198.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1(CCCCC1)SC

Isomeric SMILES

CC(=O)/C=C/C1(CCCCC1)SC

InChI

InChI=1S/C11H18OS/c1-10(12)6-9-11(13-2)7-4-3-5-8-11/h6,9H,3-5,7-8H2,1-2H3/b9-6+