3,3-dimethyl-4-[6-sulfanylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butan-2-one

Systemtic Name: 3,3-dimethyl-4-[6-sulfanylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butan-2-one Openeye Name: 3,3-dimethyl-4-[6-thioxo-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butan-2-one CAS Name: 3,3-dimethyl-4-[6-sulfanylidene-4-(trifluoromethyl)-1-cyclohexa-1,3-dienyl]-2-butanone IUPAC Name: 3,3-dimethyl-4-[6-sulfanylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butan-2-one Traditional Name: 3,3-dimethyl-4-[6-thioxo-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]butan-2-one Formula: C13H15F3OS MolecularWeight: 276.31781

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)CC1=CC=C(CC1=S)C(F)(F)F

Isomeric SMILES

CC(=O)C(C)(C)CC1=CC=C(CC1=S)C(F)(F)F

InChI

InChI=1S/C13H15F3OS/c1-8(17)12(2,3)7-9-4-5-10(6-11(9)18)13(14,15)16/h4-5H,6-7H2,1-3H3