Version2.4 2021-07-01T11:19:12Z 10.1021/jm300687e Gaussian16 RevisionB.01 RPOIRIER 12-Sep-2018 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1([C@@H](C[C@H]1C(=O)[O-])C(=O)C(=O)[O-])C C01712079 RHF 6-31G(d) (6D,7F) CC1([C@@H](C[C@H]1C(=O)[O-])C(=O)C(=O)[O-])C C01[X(C9H10O5)] 66 C1 230 [O-]C(=O)C(=O)[C@@H]1C[C@H](C1(C)C)C(=O)[O-] [O-]C(=O)C(=O)[C@@H]1C[C@H](C1(C)C)C(=O)[O-] CC1(C)[C@@H](C[C@H]1C(=O)C([O-])=O)C([O-])=O InChIKey=RWMIXARGIFTUGQ-WHFBIAKZSA-L InChI=1S/C9H12O5/c1-9(2)4(6(10)8(13)14)3-5(9)7(11)12/h4-5H,3H2,1-2H3,(H,11,12)(H,13,14)/p-2/t4-,5-/m0/s1 InChI=1/C9H12O5/c1-9(2)4(6(10)8(13)14)3-5(9)7(11)12/h4-5H,3H2,1-2H3,(H,11,12)(H,13,14)/p-2/t4-,5-/m0/s1/fC9H10O5/q-2 CC1([C@@H](C[C@H]1C(=O)[O-])C(=O)C(=O)[O-])C C01[X(C9H10O5)] 66 C01 230 [O-]C(=O)C(=O)[C@@H]1C[C@H](C1(C)C)C(=O)[O-] O=[C]([O])C(=O)[C@@H]1C[C@H](C1(C)C)[C]([O])[O] CC1(C)[C@@H](C[C@H]1C(=O)C([O])=O)[C]([O])[O] InChIKey=CLTKHFCUVGWZFC-WHFBIAKZSA-N 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