LLK
Summary
| Name: | (2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one |
| Formula: | C15 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 226.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one |
| OpenEye OEToolkits | 1.7.6 | (E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ccc2c(c1)ccc(OC)c2)/C=C/C |
| InChI | InChI | 1.03 | InChI=1S/C15H14O2/c1-3-4-15(16)13-6-5-12-10-14(17-2)8-7-11(12)9-13/h3-10H,1-2H3/b4-3+ |
| InChIKey | InChI | 1.03 | MDAHFYAQSIDRGG-ONEGZZNKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2cc(ccc2c1)C(=O)/C=C/C |
| SMILES | CACTVS | 3.385 | COc1ccc2cc(ccc2c1)C(=O)C=CC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C/C=C/C(=O)c1ccc2cc(ccc2c1)OC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC=CC(=O)c1ccc2cc(ccc2c1)OC |
