(E)-1-(2,6,6-trimethyl-3-phenylsulfanyl-cyclohexen-1-yl)but-2-en-1-one

Systemtic Name: (E)-1-(2,6,6-trimethyl-3-phenylsulfanyl-cyclohexen-1-yl)but-2-en-1-one Openeye Name: (E)-1-(2,6,6-trimethyl-3-phenylsulfanyl-cyclohexen-1-yl)but-2-en-1-one CAS Name: (E)-1-[2,6,6-trimethyl-3-(phenylthio)-1-cyclohexenyl]-2-buten-1-one IUPAC Name: (E)-1-(2,6,6-trimethyl-3-phenylsulfanylcyclohexen-1-yl)but-2-en-1-one Traditional Name: (E)-1-[2,6,6-trimethyl-3-(phenylthio)cyclohexen-1-yl]but-2-en-1-one Formula: C19H24OS MolecularWeight: 300.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1=C(C(CCC1(C)C)SC2=CC=CC=C2)C

Isomeric SMILES

C/C=C/C(=O)C1=C(C(CCC1(C)C)SC2=CC=CC=C2)C

InChI

InChI=1S/C19H24OS/c1-5-9-16(20)18-14(2)17(12-13-19(18,3)4)21-15-10-7-6-8-11-15/h5-11,17H,12-13H2,1-4H3/b9-5+