NLA
Summary
| Name: | NAPHTHALEN-1-YL-ACETIC ACID |
| Formula: | C12 H10 O2 |
| Formal charge: | 0 |
| Formula weight: | 186.207 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | naphthalen-1-ylacetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-naphthalen-1-ylethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)Cc2cccc1ccccc12 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)Cc1cccc2ccccc12 |
| SMILES | CACTVS | 3.341 | OC(=O)Cc1cccc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cccc2CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cccc2CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14) |
| InChIKey | InChI | 1.03 | PRPINYUDVPFIRX-UHFFFAOYSA-N |
