W62
Summary
| Name: | benzo[a]pyrene |
| Formula: | C20 H12 |
| Formal charge: | 0 |
| Formula weight: | 252.309 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | benzo[a]pyrene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H |
| InChIKey | InChI | 1.06 | FMMWHPNWAFZXNH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45 |
| SMILES | CACTVS | 3.385 | c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cc3ccc4cccc5c4c3c2cc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cc3ccc4cccc5c4c3c2cc5 |
