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

Systemtic Name: (E)-4-(1-phenylsulfanylcyclohexyl)but-3-en-2-one Openeye Name: (E)-4-(1-phenylsulfanylcyclohexyl)but-3-en-2-one CAS Name: (E)-4-[1-(phenylthio)cyclohexyl]-3-buten-2-one IUPAC Name: (E)-4-(1-phenylsulfanylcyclohexyl)but-3-en-2-one Traditional Name: (E)-4-[1-(phenylthio)cyclohexyl]but-3-en-2-one Formula: C16H20OS MolecularWeight: 260.3944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1(CCCCC1)SC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H20OS/c1-14(17)10-13-16(11-6-3-7-12-16)18-15-8-4-2-5-9-15/h2,4-5,8-10,13H,3,6-7,11-12H2,1H3/b13-10+