SMIRKS
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([S:17][C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:56])([H:57])[H:58])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])=[N:11][O:12][S:13](=[O:14])(=[O:15])[O:16][H:30])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H][S:17][C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:56])([H:57])[H:58])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])=[N:11][O:12][S:13](=[O:14])(=[O:15])[O:16][H:30]
Derived Operators
EVODEX.1-F43 - Elemental Balance
| O | -5 |
| C | -6 |
| H | -10 |
EVODEX.1-M30 - Mass Difference
-162.0528
EVODEX.1-E520 - Reaction Operator E
[#6:1]-[#16:2]-[#6@]1(-[H])-[#8]-[#6](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6]-1(-[#8]-[H])-[H]>>[#6:1]-[#16:2]-[H]
EVODEX.1-C533 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#16:18])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#16:18]
EVODEX.1-N677 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#16:18]-[#6:11])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#16:18]-[#6:11]
Source Full Reactions
EVODEX.1-R5204
[C:1]([S:2][C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[N:11][O:12][S:13](=[O:14])(=[O:15])[O:16][H:30])[S:17][C@:18]1([H:31])[O:19][C@@:20]([C:21]([O:22][H:32])([H:33])[H:34])([H:35])[C@:23]([O:24][H:36])([H:37])[C@@:25]([O:26][H:38])([H:39])[C@:27]1([O:28][H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])([H:57])[H:58].[H][O:29][H:59]>>[C@@:18]1([O:29][H:59])([H:31])[O:19][C@@:20]([C:21]([O:22][H:32])([H:33])[H:34])([H:35])[C@:23]([O:24][H:36])([H:37])[C@@:25]([O:26][H:38])([H:39])[C@:27]1([O:28][H:40])[H:41].[H][S:17][C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:56])([H:57])[H:58])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])=[N:11][O:12][S:13](=[O:14])(=[O:15])[O:16][H:30]