JWW
Summary
| Name: | 2-heptylquinoline-3,4-diol |
| Formula: | C16 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 259.343 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-heptylquinoline-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H21NO2/c1-2-3-4-5-6-11-14-16(19)15(18)12-9-7-8-10-13(12)17-14/h7-10,19H,2-6,11H2,1H3,(H,17,18) |
| InChIKey | InChI | 1.03 | CEIUIHOQDSVZJQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCc1nc2ccccc2c(O)c1O |
| SMILES | CACTVS | 3.385 | CCCCCCCc1nc2ccccc2c(O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCc1c(c(c2ccccc2n1)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCc1c(c(c2ccccc2n1)O)O |
