SMIRKS
[H]C(=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:20][C:21]([C:22]([C:23]([S:24][C:25](=[O:26])[C:27]([C:28]([C:29]([H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([S:30][C:31](=[O:32])[C:33]([C:34]([C:35]([H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[H:53])([H:54])[H:55]>>[H][O:20][C:21]([C:22]([C:23]([S:24][C:25](=[O:26])[C:27]([C:28]([C:29]([H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([S:30][C:31](=[O:32])[C:33]([C:34]([C:35]([H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[H:53])([H:54])[H:55]
Derived Operators
EVODEX.1-F128 - Elemental Balance
| O | -1 |
| C | -18 |
| H | -32 |
EVODEX.1-M244 - Mass Difference
-264.24546
EVODEX.1-E769 - Reaction Operator E
[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:20]-[#6@@:21])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#8:20](-[#6@@:21])-[H]
EVODEX.1-C287 - Reaction Operator C
[H]-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:20]>>[H]-[#8:20]
EVODEX.1-N322 - Reaction Operator N
[H]-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:20]-[#6@@:21]>>[H]-[#8:20]-[#6@@:21]
Source Full Reactions
EVODEX.1-R4862
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][C:21]([C:22]([C:23]([S:24][C:25](=[O:26])[C:27]([C:28]([C:29]([H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([S:30][C:31](=[O:32])[C:33]([C:34]([C:35]([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: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])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([H:86])([H:87])[H:88].[H][O:36][H:89]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:36][H:89])([H:56])[H:57])([H:58])[H:59])([H:60])[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])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([H:86])([H:87])[H:88].[H][O:20][C:21]([C:22]([C:23]([S:24][C:25](=[O:26])[C:27]([C:28]([C:29]([H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([S:30][C:31](=[O:32])[C:33]([C:34]([C:35]([H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[H:53])([H:54])[H:55]