BVH
Summary
Name: | (1R,2R,4S)-4-ethenylcyclohexane-1,2-diol |
Formula: | C8 H14 O2 |
Formal charge: | 0 |
Formula weight: | 142.196 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (1R,2R,4S)-4-ethenylcyclohexane-1,2-diol |
OpenEye OEToolkits | 2.0.6 | (1~{R},2~{R},4~{S})-4-ethenylcyclohexane-1,2-diol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(CCC(\C=C)CC1O)O |
InChI | InChI | 1.03 | InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7+,8+/m0/s1 |
InChIKey | InChI | 1.03 | BSJHRRSHDADBTA-XLPZGREQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CC[C@@H](C[C@H]1O)C=C |
SMILES | CACTVS | 3.385 | O[CH]1CC[CH](C[CH]1O)C=C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C=C[C@H]1CC[C@H]([C@@H](C1)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | C=CC1CCC(C(C1)O)O |