70H
Summary
| Name: | (3E)-4-(8-methylnaphthalen-1-yl)but-3-enoic acid |
| Formula: | C15 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 226.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3E)-4-(8-methylnaphthalen-1-yl)but-3-enoic acid |
| OpenEye OEToolkits | 2.0.5 | (~{E})-4-(8-methylnaphthalen-1-yl)but-3-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [C@H](CC(O)=O)=Cc2c1c(C)cccc1ccc2 |
| InChI | InChI | 1.03 | InChI=1S/C15H14O2/c1-11-5-2-6-12-7-3-8-13(15(11)12)9-4-10-14(16)17/h2-9H,10H2,1H3,(H,16,17)/b9-4+ |
| InChIKey | InChI | 1.03 | FALDQPGQWAZNKV-RUDMXATFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc2cccc(\C=C\CC(O)=O)c12 |
| SMILES | CACTVS | 3.385 | Cc1cccc2cccc(C=CCC(O)=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1cccc2c1c(ccc2)/C=C/CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1cccc2c1c(ccc2)C=CCC(=O)O |
