SMIRKS
[H]OC([H])([H])C([H])(O[C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:36])([H:37])[H:38])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])=[O:9])C([H])([H])O[H]>>[H]O[C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:36])([H:37])[H:38])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])=[O:9]
Derived Operators
EVODEX.1-F313 - Elemental Balance
| O | -2 |
| C | -3 |
| H | -6 |
EVODEX.1-M327 - Mass Difference
-74.03678000000001
EVODEX.1-E1086 - Reaction Operator E
[#8:12](-[#6](-[#6](-[#8]-[H])(-[#6](-[#8]-[H])(-[H])-[H])-[H])(-[H])-[H])-[H:40]>>[#8:12](-[H:40])-[H]
EVODEX.1-C492 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8:12]>>[H]-[#8:12]
EVODEX.1-N604 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8:12]-[H:40]>>[H]-[#8:12]-[H:40]
Source Full Reactions
EVODEX.1-R4762
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:10][C:11]([C:12]([O:13][H:17])([H:18])[H:19])([C:14]([O:15][H:20])([H:21])[H:22])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])([H:37])[H:38].[H][O:16][H:39]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:16][H:39])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])([H:37])[H:38].[H][O:10][C:11]([C:12]([O:13][H:17])([H:18])[H:19])([C:14]([O:15][H:20])([H:21])[H:22])[H:23]