9-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-4-thiaspiro[4.5]decane-8,10-dione

Systemtic Name: 9-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-4-thiaspiro[4.5]decane-8,10-dione Openeye Name: 9-[2-nitro-4-(trifluoromethyl)benzoyl]-4-thiaspiro[4.5]decane-8,10-dione CAS Name: 9-[[2-nitro-4-(trifluoromethyl)phenyl]-oxomethyl]-4-thiaspiro[4.5]decane-8,10-dione IUPAC Name: 9-[2-nitro-4-(trifluoromethyl)benzoyl]-4-thiaspiro[4.5]decane-8,10-dione Traditional Name: 9-[2-nitro-4-(trifluoromethyl)benzoyl]-4-thiaspiro[4.5]decane-8,10-quinone Formula: C17H14F3NO5S MolecularWeight: 401.35697

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC(=O)C(C2=O)C(=O)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])SC1

Isomeric SMILES

C1CC2(CCC(=O)C(C2=O)C(=O)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])SC1

InChI

InChI=1S/C17H14F3NO5S/c18-17(19,20)9-2-3-10(11(8-9)21(25)26)14(23)13-12(22)4-6-16(15(13)24)5-1-7-27-16/h2-3,8,13H,1,4-7H2