2V7
Summary
| Name: | (1S,2S)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol |
| Synonyms: | (6-methoxynaphthalen-2-yl)(oxiran-2-yl)methanol, bound form |
| Formula: | C14 H16 O3 |
| Formal charge: | 0 |
| Formula weight: | 232.275 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,2S)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol |
| OpenEye OEToolkits | 1.7.6 | (1S,2S)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(C)C(O)c1ccc2c(c1)ccc(OC)c2 |
| InChI | InChI | 1.03 | InChI=1S/C14H16O3/c1-9(15)14(16)12-4-3-11-8-13(17-2)6-5-10(11)7-12/h3-9,14-16H,1-2H3/t9-,14+/m0/s1 |
| InChIKey | InChI | 1.03 | CWZNIRHUMZESFD-LKFCYVNXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2cc(ccc2c1)[C@H](O)[C@H](C)O |
| SMILES | CACTVS | 3.385 | COc1ccc2cc(ccc2c1)[CH](O)[CH](C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]([C@H](c1ccc2cc(ccc2c1)OC)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(c1ccc2cc(ccc2c1)OC)O)O |
