| Properties | Image |
|---|
| MNX_ID | MNXM1594568 |
 |
| reference | vmhM:fulv17sulf
vmhM:fulv17sulf |
| formula | C32H46F5O6S2 |
| global charge | -1 |
| mol weight | 685.838 |
| InChIKey | LWGMYBHTNQNSCX-HGVIYHSUSA-M |
| InChI | InChI=1S/C32H47F5O6S2/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)43-45(40,41)42)10-7-5-3-2-4-6-8-18-44(39)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38H,2-10,13-20H2,1H3,(H,40,41,42)/p-1/t22-,26-,27+,28?,29-,30+,44?/m1/s1 |
| SMILES | C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CCC2OS(=O)(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C32H47F5O6S2/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)43-45(40,41)42)10-7-5-3-2-4-6-8-18-44(39)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38H,2-10,13-20H2,1H3,(H,40,41,42)/t22-,26-,27+,28?,29-,30+,44?/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@:30]12[CH2:17][CH2:15][C@@H:26]3[c:25]4[cH:12][cH:11][c:24]([OH:38])[cH:21][c:23]4[CH2:20][C@@H:22]([CH2:10][CH2:7][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6][CH2:8][CH2:18][S+:44]([CH2:19][CH2:9][CH2:16][C:31]([C:32]([F:35])([F:36])[F:37])([F:33])[F:34])[O-:39])[C@H:29]3[C@@H:27]1[CH2:13][CH2:14][CH:28]2[O:43][S:45](=[O:40])([OH:41])=[O:42] |
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