EXO
Summary
| Name: | (1R,2S,3S,4R)-5-METHYLENECYCLOHEXANE-1,2,3,4-TETRAOL |
| Formula: | C7 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 160.168 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R,2S,3S,4R)-5-methylidenecyclohexane-1,2,3,4-tetrol |
| OpenEye OEToolkits | 1.5.0 | (1R,2S,3S,4R)-5-methylidenecyclohexane-1,2,3,4-tetrol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1CC(=C)/C(O)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1CC(=C)[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | O[CH]1CC(=C)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C=C1C[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C=C1CC(C(C(C1O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H12O4/c1-3-2-4(8)6(10)7(11)5(3)9/h4-11H,1-2H2/t4-,5-,6+,7+/m1/s1 |
| InChIKey | InChI | 1.03 | DRZDCPGIBPDBFY-JWXFUTCRSA-N |
