V7V
Summary
| Name: | 3-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid |
| Formula: | C14 H10 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 266.255 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H10N4O2/c19-14(20)12-6-2-4-10(8-12)9-3-1-5-11(7-9)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18) |
| InChIKey | InChI | 1.03 | KEZGIRGXOUGLEM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(c1)c2cccc(c2)c3[nH]nnn3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc(c1)c2cccc(c2)c3[nH]nnn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)c2[nH]nnn2)c3cccc(c3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)c2[nH]nnn2)c3cccc(c3)C(=O)O |
