SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[C:15]([C:14](=[C:12]([C:11]([C:10]([C:9](=[C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:74])([H:75])[H:76])[C:3]([H:49])([H:50])[H:51])[H:73])([H:71])[H:72])([H:69])[H:70])[C:8]([H:52])([H:53])[H:54])[H:68])([H:66])[H:67])([H:64])[H:65])[C:13]([H])([H:55])[H:56])[H:63])([H:61])[H:62]>>[C:1]([C:2]([C:3]([H:49])([H:50])[H:51])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:52])([H:53])[H:54])=[C:9]([C:10]([C:11]([C:12](=[C:13]([H:55])[H:56])[C:14](=[C:15]([H:61])[H:62])[H:63])([H:64])[H:65])([H:66])[H:67])[H:68])([H:69])[H:70])([H:71])[H:72])[H:73])([H:74])([H:75])[H:76]
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-R7066
[H][C:13]([C:12]([C:11]([C:10]([C:9](=[C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:74])([H:75])[H:76])[C:3]([H:49])([H:50])[H:51])[H:73])([H:71])[H:72])([H:69])[H:70])[C:8]([H:52])([H:53])[H:54])[H:68])([H:66])[H:67])([H:64])[H:65])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:58])[O:20][P:21](=[O:22])([O:23][H:59])[O:24][H:60])([H:61])[H:62])[H:63])([H:55])[H:56].[H][C:35]([C:34]([C:33](=[C:31]([C:30]([C:29]([C:28](=[C:26]([C:25]([H:102])([H:103])[H:104])[C:27]([H:77])([H:78])[H:79])[H:101])([H:99])[H:100])([H:97])[H:98])[C:32]([H:80])([H:81])[H:82])[H:96])([H:94])[H:95])([C:36]([C:37]([H:83])([H:84])[H:85])=[C:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:86])[O:44][P:45](=[O:46])([O:47][H:87])[O:48][H:88])([H:89])[H:90])[H:91])[H:92]>>[C:1]([C:2]([C:3]([H:49])([H:50])[H:51])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:52])([H:53])[H:54])=[C:9]([C:10]([C:11]([C:12](=[C:13]([H:55])[H:56])[C:14](=[C:15]([H:61])[H:62])[H:63])([H:64])[H:65])([H:66])[H:67])[H:68])([H:69])[H:70])([H:71])[H:72])[H:73])([H:74])([H:75])[H:76].[C:25]([C:26]([C:27]([H:77])([H:78])[H:79])=[C:28]([C:29]([C:30]([C:31]([C:32]([H:80])([H:81])[H:82])=[C:33]([C:34]([C:35](=[C:36]([C:37]([H:83])([H:84])[H:85])[C:38](=[C:39]([H:89])[H:90])[H:91])[H:92])([H:94])[H:95])[H:96])([H:97])[H:98])([H:99])[H:100])[H:101])([H:102])([H:103])[H:104].[H][O:16][P:17](=[O:18])([O:19][H:58])[O:20][P:21](=[O:22])([O:23][H:59])[O:24][H:60].[H][O:40][P:41](=[O:42])([O:43][H:86])[O:44][P:45](=[O:46])([O:47][H:87])[O:48][H:88]
EVODEX.1-R7067
[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:25])([H:26])[H:27])[H:49])([H:47])[H:48])([H:45])[H:46])[C:8]([H:28])([H:29])[H:30])[H:44])([H:42])[H:43])([H:40])[H:41])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:34])[O:20][P:21](=[O:22])([O:23][H:35])[O:24][H:36])([H:37])[H:38])[H:39])([H:31])[H:32]>>[C:1]([C:2]([C:3]([H:25])([H:26])[H:27])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:28])([H:29])[H:30])=[C:9]([C:10]([C:11]([C:12](=[C:13]([H:31])[H:32])[C:14](=[C:15]([H:37])[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:16][P:17](=[O:18])([O:19][H:34])[O:20][P:21](=[O:22])([O:23][H:35])[O:24][H:36]