Q8D
Summary
| Name: | 1-cyclohexyl-1H-benzotriazole-5-carboxylic acid |
| Formula: | C13 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 245.277 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-cyclohexyl-1H-benzotriazole-5-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 1-cyclohexylbenzotriazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c12cc(C(O)=O)ccc1n(nn2)C3CCCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C13H15N3O2/c17-13(18)9-6-7-12-11(8-9)14-15-16(12)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,17,18) |
| InChIKey | InChI | 1.03 | GLIAIPXYMCWRTG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2n(nnc2c1)C3CCCCC3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2n(nnc2c1)C3CCCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)O)nnn2C3CCCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)O)nnn2C3CCCCC3 |
