Q5M
Summary
| Name: | 4-(naphthalen-1-yl)-4-oxobutanoic acid |
| Formula: | C14 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 228.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(naphthalen-1-yl)-4-oxobutanoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-naphthalen-1-yl-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(C(CCC(O)=O)=O)cccc2c1cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C14H12O3/c15-13(8-9-14(16)17)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,16,17) |
| InChIKey | InChI | 1.03 | YNEXYDHOGAIPHO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCC(=O)c1cccc2ccccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)CCC(=O)c1cccc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2C(=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2C(=O)CCC(=O)O |
