8SK
Summary
| Name: | benzo[a]pyren-3-ol |
| Formula: | C20 H12 O |
| Formal charge: | 0 |
| Formula weight: | 268.309 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | benzo[a]pyren-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H |
| InChIKey | InChI | 1.03 | SPUUWWRWIAEPDB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc2ccc3c4ccccc4cc5ccc1c2c35 |
| SMILES | CACTVS | 3.385 | Oc1ccc2ccc3c4ccccc4cc5ccc1c2c35 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)cc3ccc4c(ccc5c4c3c2cc5)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)cc3ccc4c(ccc5c4c3c2cc5)O |
