I7L
Summary
| Name: | 2-naphthalen-2-ylethanoic acid |
| Formula: | C12 H10 O2 |
| Formal charge: | 0 |
| Formula weight: | 186.207 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (naphthalen-2-yl)acetic acid |
| OpenEye OEToolkits | 3.1.0.0 | 2-naphthalen-2-ylethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)Cc1ccc2ccccc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14) |
| InChIKey | InChI | 1.06 | VIBOGIYPPWLDTI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1ccc2ccccc2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1ccc2ccccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2cc(ccc2c1)CC(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2cc(ccc2c1)CC(=O)O |
