1-cyclohexa-1,3-dien-1-yl-2-methylsulfanyl-butan-1-one

Systemtic Name: 1-cyclohexa-1,3-dien-1-yl-2-methylsulfanyl-butan-1-one Openeye Name: 1-cyclohexa-1,3-dien-1-yl-2-methylsulfanyl-butan-1-one CAS Name: 1-(1-cyclohexa-1,3-dienyl)-2-(methylthio)-1-butanone IUPAC Name: 1-cyclohexa-1,3-dien-1-yl-2-methylsulfanylbutan-1-one Traditional Name: 1-cyclohexa-1,3-dien-1-yl-2-(methylthio)butan-1-one Formula: C11H16OS MolecularWeight: 196.30914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CCC1)SC

Isomeric SMILES

CCC(C(=O)C1=CC=CCC1)SC

InChI

InChI=1S/C11H16OS/c1-3-10(13-2)11(12)9-7-5-4-6-8-9/h4-5,7,10H,3,6,8H2,1-2H3