7SI
Summary
| Name: | (1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalene-5,8-diol |
| Formula: | C11 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 176.212 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalene-5,8-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1CC2CC1c3c(O)ccc(O)c23 |
| InChI | InChI | 1.03 | InChI=1S/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h3-4,6-7,12-13H,1-2,5H2/t6-,7+ |
| InChIKey | InChI | 1.03 | JYHNNCBQCSLFQM-KNVOCYPGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(O)c2[C@H]3CC[C@H](C3)c12 |
| SMILES | CACTVS | 3.385 | Oc1ccc(O)c2[CH]3CC[CH](C3)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c2c(c1O)[C@@H]3CC[C@H]2C3)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c2c(c1O)C3CCC2C3)O |
