SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[C:16]([C:14](=[C:12]([C:11]([C:10]([C:9](=[C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:50])([H:51])[H:52])[C:3]([H:26])([H:27])[H:28])[H:49])([H:47])[H:48])([H:45])[H:46])[C:8]([H:29])([H:30])[H:31])[H:44])([H:42])[H:43])([H:40])[H:41])[C:13]([H])([H:32])[H:33])[F:15])([H:38])[H:39]>>[C:1]([C:2]([C:3]([H:26])([H:27])[H:28])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:29])([H:30])[H:31])=[C:9]([C:10]([C:11]([C:12](=[C:13]([H:32])[H:33])[C:14]([F:15])=[C:16]([H:38])[H:39])([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]
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-R7068
[H][C:13]([C:12]([C:11]([C:10]([C:9](=[C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:50])([H:51])[H:52])[C:3]([H:26])([H:27])[H:28])[H:49])([H:47])[H:48])([H:45])[H:46])[C:8]([H:29])([H:30])[H:31])[H:44])([H:42])[H:43])([H:40])[H:41])=[C:14]([F:15])[C:16]([O:17][P:18](=[O:19])([O:20][H:35])[O:21][P:22](=[O:23])([O:24][H:36])[O:25][H:37])([H:38])[H:39])([H:32])[H:33]>>[C:1]([C:2]([C:3]([H:26])([H:27])[H:28])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:29])([H:30])[H:31])=[C:9]([C:10]([C:11]([C:12](=[C:13]([H:32])[H:33])[C:14]([F:15])=[C:16]([H:38])[H:39])([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][O:17][P:18](=[O:19])([O:20][H:35])[O:21][P:22](=[O:23])([O:24][H:36])[O:25][H:37]