SMIRKS
[H]OC([H])([H])[C@]1([H])O[C@@]([H])([O:7][C@@:8]2([H:42])[C@@:9]([O:10][C@:11]3([H:43])[C:12]([H:44])([H:45])[O:13][C@:14]([O:15][C@:16]4([H:46])[C:17]([H:47])([H:48])[O:18][C@:19]([O:20][H:49])([H:50])[C@@:21]([O:22][H:51])([H:52])[C@:23]4([O:24][H:53])[H:54])([H:55])[C@@:25]([O:26][H:56])([H:57])[C@:27]3([O:28][H:58])[H:59])([H:60])[O:29][C:30]([H:61])([H:62])[C@:31]([O:32][H:63])([H:64])[C@@:33]2([O:34][H:65])[H:66])[C@]([H])(O[H])[C@@]1([H])O[H]>>[H][O:7][C@@:8]1([H:42])[C@@:9]([O:10][C@:11]2([H:43])[C:12]([H:44])([H:45])[O:13][C@:14]([O:15][C@:16]3([H:46])[C:17]([H:47])([H:48])[O:18][C@:19]([O:20][H:49])([H:50])[C@@:21]([O:22][H:51])([H:52])[C@:23]3([O:24][H:53])[H:54])([H:55])[C@@:25]([O:26][H:56])([H:57])[C@:27]2([O:28][H:58])[H:59])([H:60])[O:29][C:30]([H:61])([H:62])[C@:31]([O:32][H:63])([H:64])[C@@:33]1([O:34][H:65])[H:66]
Derived Operators
EVODEX.1-F144 - Elemental Balance
| O | -4 |
| C | -5 |
| H | -8 |
EVODEX.1-M115 - Mass Difference
-132.04224
EVODEX.1-E801 - Reaction Operator E
[#6:1]-[#8:2]-[#6@@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H]>>[#6:1]-[#8:2]-[H]
EVODEX.1-C541 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8:2])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8:2]
EVODEX.1-N690 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8:2]-[#6:1])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8:2]-[#6:1]
Source Full Reactions
EVODEX.1-R5346
[H][O:1][H:39].[O:2]([C:3]([C@:4]1([H:41])[O:5][C@:6]([O:7][C@@:8]2([H:42])[C@@:9]([O:10][C@:11]3([H:43])[C:12]([H:44])([H:45])[O:13][C@:14]([O:15][C@:16]4([H:46])[C:17]([H:47])([H:48])[O:18][C@:19]([O:20][H:49])([H:50])[C@@:21]([O:22][H:51])([H:52])[C@:23]4([O:24][H:53])[H:54])([H:55])[C@@:25]([O:26][H:56])([H:57])[C@:27]3([O:28][H:58])[H:59])([H:60])[O:29][C:30]([H:61])([H:62])[C@:31]([O:32][H:63])([H:64])[C@@:33]2([O:34][H:65])[H:66])([H:67])[C@@:35]([O:36][H:68])([H:69])[C@:37]1([O:38][H:70])[H:71])([H:72])[H:73])[H:74]>>[O:1]([C@@:6]1([H:67])[O:5][C@:4]([C:3]([O:2][H:74])([H:72])[H:73])([H:41])[C@@:37]([O:38][H:70])([H:71])[C@:35]1([O:36][H:68])[H:69])[H:39].[H][O:7][C@@:8]1([H:42])[C@@:9]([O:10][C@:11]2([H:43])[C:12]([H:44])([H:45])[O:13][C@:14]([O:15][C@:16]3([H:46])[C:17]([H:47])([H:48])[O:18][C@:19]([O:20][H:49])([H:50])[C@@:21]([O:22][H:51])([H:52])[C@:23]3([O:24][H:53])[H:54])([H:55])[C@@:25]([O:26][H:56])([H:57])[C@:27]2([O:28][H:58])[H:59])([H:60])[O:29][C:30]([H:61])([H:62])[C@:31]([O:32][H:63])([H:64])[C@@:33]1([O:34][H:65])[H:66]