8P0
Summary
| Name: | pyrene |
| Formula: | C16 H10 |
| Formal charge: | 0 |
| Formula weight: | 202.251 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | pyrene |
| OpenEye OEToolkits | 2.0.6 | pyrene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc4c3c(c1)ccc2cccc(c23)cc4 |
| InChI | InChI | 1.03 | InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H |
| InChIKey | InChI | 1.03 | BBEAQIROQSPTKN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | c1cc2ccc3cccc4ccc(c1)c2c34 |
| SMILES | CACTVS | 3.385 | c1cc2ccc3cccc4ccc(c1)c2c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2ccc3cccc4c3c2c(c1)cc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2ccc3cccc4c3c2c(c1)cc4 |
