NPD
Summary
| Name: | 2-METHYL-3-NAPHTHALEN-1-YL-PROPIONALDEHYDE |
| Formula: | C14 H14 O |
| Formal charge: | 0 |
| Formula weight: | 198.26 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-methyl-3-naphthalen-1-ylpropanal |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-methyl-3-naphthalen-1-yl-propanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=CC(C)Cc2cccc1ccccc12 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](Cc1cccc2ccccc12)C=O |
| SMILES | CACTVS | 3.341 | C[CH](Cc1cccc2ccccc12)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](Cc1cccc2c1cccc2)C=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(Cc1cccc2c1cccc2)C=O |
| InChI | InChI | 1.03 | InChI=1S/C14H14O/c1-11(10-15)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,10-11H,9H2,1H3/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | RZTRQNRBKAAPDM-NSHDSACASA-N |
