1,6-bis[(5S)-3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]hexane-1,6-dione

Systemtic Name: 1,6-bis[(5S)-3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]hexane-1,6-dione Openeye Name: 1,6-bis[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]hexane-1,6-dione CAS Name: 1,6-bis[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]hexane-1,6-dione IUPAC Name: 1,6-bis[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]hexane-1,6-dione Traditional Name: 1,6-bis[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]hexane-1,6-dione Formula: C16H20F6N4O4 MolecularWeight: 446.344819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CCCCC(=O)N2C(CC(=N2)C)(C(F)(F)F)O

Isomeric SMILES

CC1=NN([C@](C1)(C(F)(F)F)O)C(=O)CCCCC(=O)N2[C@](CC(=N2)C)(C(F)(F)F)O

InChI

InChI=1S/C16H20F6N4O4/c1-9-7-13(29,15(17,18)19)25(23-9)11(27)5-3-4-6-12(28)26-14(30,16(20,21)22)8-10(2)24-26/h29-30H,3-8H2,1-2H3/t13-,14-/m0/s1