| Properties | Image |
|---|
| MNX_ID | MNXM1182207 |
 |
| reference | envipathM:...bcb5bea86d42 |
| formula | C14H14F15NO4 |
| global charge | 0 |
| mol weight | 545.239 |
| InChIKey | KXRGWFQVRLGUCW-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H14F15NO4/c1-30(2,4-6(32)33)7(34)5(31)3-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h5,7,31,34H,3-4H2,1-2H3 |
| SMILES | C[N+](C)(CC(=O)[O-])C(O)C(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
MNX internals
| InChI (mnx) | InChI=1/C14H14F15NO4/c1-30(2,4-6(32)33)7(34)5(31)3-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h5,7,31,34H,3-4H2,1-2H3/t5?,7? |
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| SMILES (mnx) | [CH3:1][N+:30]([CH3:2])([CH2:4][C:6](=[O:32])[O-:33])[CH:7]([CH:5]([CH2:3][C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([F:27])([F:28])[F:29])([F:25])[F:26])([F:23])[F:24])([F:21])[F:22])([F:19])[F:20])([F:17])[F:18])([F:15])[F:16])[OH:31])[OH:34] |
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