| Properties | Image |
|---|
| MNX_ID | MNXM1192503 |
 |
| reference | envipathM:...e12dc1c0e881 |
| formula | C15H15F17N2O4S |
| global charge | 0 |
| mol weight | 642.328 |
| InChIKey | GVGKALVYOYYUQI-UHFFFAOYSA-N |
| InChI | InChI=1S/C15H15F17N2O4S/c1-34(2,5-7(36)37)4-3-6(35)33-39(38)15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30/h6,33,35H,3-5H2,1-2H3 |
| SMILES | C[N+](C)(CCC(O)NS(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C15H15F17N2O4S/c1-34(2,5-7(36)37)4-3-6(35)33-39(38)15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30/h6,33,35H,3-5H2,1-2H3/t6?,39? |
 |
| SMILES (mnx) | [CH3:1][N+:34]([CH3:2])([CH2:4][CH2:3][CH:6]([NH:33][S:39]([C:15]([C:13]([C:11]([C:9]([C:8]([C:10]([C:12]([C:14]([F:28])([F:29])[F:30])([F:24])[F:25])([F:20])[F:21])([F:16])[F:17])([F:18])[F:19])([F:22])[F:23])([F:26])[F:27])([F:31])[F:32])=[O:38])[OH:35])[CH2:5][C:7](=[O:36])[O-:37] |
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