| Properties | Image |
|---|
| MNX_ID | MNXM1174880 |
 |
| reference | envipathM:...3a132a9185aa |
| formula | C26H13F34O9 |
| global charge | -1 |
| mol weight | 1115.313 |
| InChIKey | KMLMLADABSDUFU-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H14F34O9/c27-11(28,13(31,32)15(35,36)17(39,40)19(43,44)21(47,48)23(51,52)25(55,56)57)1-2-68-9(66)10(67,7(63)8(64)65)3-6(62)69-4-5(61)12(29,30)14(33,34)16(37,38)18(41,42)20(45,46)22(49,50)24(53,54)26(58,59)60/h5,7,61,63,67H,1-4H2,(H,64,65)/p-1 |
| SMILES | O=C(CC(O)(C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)C(=O)[O-])OCC(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 |
MNX internals
| InChI (mnx) | InChI=1/C26H14F34O9/c27-11(28,13(31,32)15(35,36)17(39,40)19(43,44)21(47,48)23(51,52)25(55,56)57)1-2-68-9(66)10(67,7(63)8(64)65)3-6(62)69-4-5(61)12(29,30)14(33,34)16(37,38)18(41,42)20(45,46)22(49,50)24(53,54)26(58,59)60/h5,7,61,63,67H,1-4H2,(H,64,65)/t5?,7?,10? |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][O:68][C:9]([C:10]([CH2:3][C:6](=[O:62])[O:69][CH2:4][CH:5]([C:12]([C:14]([C:16]([C:18]([C:20]([C:22]([C:24]([C:26]([F:58])([F:59])[F:60])([F:53])[F:54])([F:49])[F:50])([F:45])[F:46])([F:41])[F:42])([F:37])[F:38])([F:33])[F:34])([F:29])[F:30])[OH:61])([CH:7]([C:8](=[O:64])[OH:65])[OH:63])[OH:67])=[O:66])[C:11]([C:13]([C:15]([C:17]([C:19]([C:21]([C:23]([C:25]([F:55])([F:56])[F:57])([F:51])[F:52])([F:47])[F:48])([F:43])[F:44])([F:39])[F:40])([F:35])[F:36])([F:31])[F:32])([F:27])[F:28] |
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