(6S,8aR)-6-ethynyl-6-oxidanyl-8a-(trifluoromethyl)-3,4,7,8-tetrahydro-2H-naphthalen-1-one

Systemtic Name: (6S,8aR)-6-ethynyl-6-oxidanyl-8a-(trifluoromethyl)-3,4,7,8-tetrahydro-2H-naphthalen-1-one Openeye Name: (6S,8aR)-6-ethynyl-6-hydroxy-8a-(trifluoromethyl)-3,4,7,8-tetrahydro-2H-naphthalen-1-one CAS Name: (6S,8aR)-6-ethynyl-6-hydroxy-8a-(trifluoromethyl)-3,4,7,8-tetrahydro-2H-naphthalen-1-one IUPAC Name: (6S,8aR)-6-ethynyl-6-hydroxy-8a-(trifluoromethyl)-3,4,7,8-tetrahydro-2H-naphthalen-1-one Traditional Name: (6S,8aR)-6-ethynyl-6-hydroxy-8a-(trifluoromethyl)-3,4,7,8-tetrahydro-2H-naphthalen-1-one Formula: C13H13F3O2 MolecularWeight: 258.23633

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCC2(C(=C1)CCCC2=O)C(F)(F)F)O

Isomeric SMILES

C#C[C@@]1(CC[C@]2(C(=C1)CCCC2=O)C(F)(F)F)O

InChI

InChI=1S/C13H13F3O2/c1-2-11(18)6-7-12(13(14,15)16)9(8-11)4-3-5-10(12)17/h1,8,18H,3-7H2/t11-,12+/m0/s1