0BV
Summary
| Name: | phenanthren-9-ylacetaldehyde |
| Synonyms: | 9-ethylphenanthrene, oxidized and bound form |
| Formula: | C16 H12 O |
| Formal charge: | 0 |
| Formula weight: | 220.266 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | phenanthren-9-ylacetaldehyde |
| OpenEye OEToolkits | 1.7.6 | 2-phenanthren-9-ylethanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CCc2cc3c(c1c2cccc1)cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H12O/c17-10-9-13-11-12-5-1-2-6-14(12)16-8-4-3-7-15(13)16/h1-8,10-11H,9H2 |
| InChIKey | InChI | 1.03 | GLWZSGUBBSQBKG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=CCc1cc2ccccc2c3ccccc13 |
| SMILES | CACTVS | 3.370 | O=CCc1cc2ccccc2c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)cc(c3c2cccc3)CC=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)cc(c3c2cccc3)CC=O |
