1-(1-phenylsulfanylcyclohexyl)but-3-en-1-one

Systemtic Name: 1-(1-phenylsulfanylcyclohexyl)but-3-en-1-one Openeye Name: 1-(1-phenylsulfanylcyclohexyl)but-3-en-1-one CAS Name: 1-[1-(phenylthio)cyclohexyl]-3-buten-1-one IUPAC Name: 1-(1-phenylsulfanylcyclohexyl)but-3-en-1-one Traditional Name: 1-[1-(phenylthio)cyclohexyl]but-3-en-1-one Formula: C16H20OS MolecularWeight: 260.3944

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)C1(CCCCC1)SC2=CC=CC=C2

Isomeric SMILES

C=CCC(=O)C1(CCCCC1)SC2=CC=CC=C2

InChI

InChI=1S/C16H20OS/c1-2-9-15(17)16(12-7-4-8-13-16)18-14-10-5-3-6-11-14/h2-3,5-6,10-11H,1,4,7-9,12-13H2