SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[C:19]([C:18](=[C:16]([C:15]([C:14]([C:13](=[C:12]([C:11]([C:10]([C:9](=[C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:60])([H:61])[H:62])[C:3]([H:29])([H:30])[H:31])[H:59])([H:57])[H:58])([H:55])[H:56])[C:8]([H:32])([H:33])[H:34])[H:54])([H:52])[H:53])([H:50])[H:51])[H:49])[H:48])([H:46])[H:47])([H:44])[H:45])[C:17]([H])([H:35])[H:36])[H:43])([H:41])[H:42]>>[C:1]([C:2]([C:3]([H:29])([H:30])[H:31])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:32])([H:33])[H:34])=[C:9]([C:10]([C:11]([C:12](=[C:13]([C:14]([C:15]([C:16](=[C:17]([H:35])[H:36])[C:18](=[C:19]([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:59])([H:60])([H:61])[H:62]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E711 - Reaction Operator E
[#6:12](-[#6:13](-[H:32])(-[H:33])-[H])=[#6:14]-[#6:16](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:38])-[H:39]>>[#6:12](=[#6:13](-[H:32])-[H:33])-[#6:14]=[#6:16](-[H:38])-[H:39]
EVODEX.1-C929 - Reaction Operator C
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:16].[#6:13]-[H])>>([#6:13].[#6:16])
EVODEX.1-N1162 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:16](-[#6:14]=[#6:12]-[#6:13](-[H])(-[H:32])-[H:33])(-[H:38])-[H:39]>>[#6:12](=[#6:13](-[H:32])-[H:33])-[#6:14]=[#6:16](-[H:38])-[H:39]
EVODEX.1-Em774 - Reaction Operator Em
[#15]-[#8]-[#6:16]-[#6:14]=[#6:12]-[#6:13]-[H]>>[#6:12](=[#6:13])-[#6:14]=[#6:16]
EVODEX.1-Nm695 - Reaction Operator Nm
[#15]-[#8]-[#6:16]-[#6:14]=[#6:12]-[#6:13]-[H]>>[#6:12](=[#6:13])-[#6:14]=[#6:16]
Source Full Reactions
EVODEX.1-R7062
[H][C:17]([C:16]([C:15]([C:14]([C:13](=[C:12]([C:11]([C:10]([C:9](=[C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:60])([H:61])[H:62])[C:3]([H:29])([H:30])[H:31])[H:59])([H:57])[H:58])([H:55])[H:56])[C:8]([H:32])([H:33])[H:34])[H:54])([H:52])[H:53])([H:50])[H:51])[H:49])[H:48])([H:46])[H:47])([H:44])[H:45])=[C:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:38])[O:24][P:25](=[O:26])([O:27][H:39])[O:28][H:40])([H:41])[H:42])[H:43])([H:35])[H:36]>>[C:1]([C:2]([C:3]([H:29])([H:30])[H:31])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:32])([H:33])[H:34])=[C:9]([C:10]([C:11]([C:12](=[C:13]([C:14]([C:15]([C:16](=[C:17]([H:35])[H:36])[C:18](=[C:19]([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:59])([H:60])([H:61])[H:62].[H][O:20][P:21](=[O:22])([O:23][H:38])[O:24][P:25](=[O:26])([O:27][H:39])[O:28][H:40]