(E)-1-(thiolan-1-ium-1-yl)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one

Systemtic Name: (E)-1-(thiolan-1-ium-1-yl)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one Openeye Name: (E)-1-tetrahydrothiophen-1-ium-1-yl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one CAS Name: (E)-1-(1-thiolan-1-iumyl)-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one IUPAC Name: (E)-1-(thiolan-1-ium-1-yl)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one Traditional Name: (E)-1-tetrahydrothiophen-1-ium-1-yl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one Formula: C17H27OS+ MolecularWeight: 279.46068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(=O)C[S+]2CCCC2

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=O)C[S+]2CCCC2

InChI

InChI=1S/C17H27OS/c1-14-7-6-10-17(2,3)16(14)9-8-15(18)13-19-11-4-5-12-19/h8-9H,4-7,10-13H2,1-3H3/q+1/b9-8+