VE2
Summary
| Name: | 5-[(E)-2-(3-carboxy-4-oxidanyl-phenyl)ethenyl]-2-oxidanyl-benzoic acid |
| Formula: | C16 H12 O6 |
| Formal charge: | 0 |
| Formula weight: | 300.263 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[(~{E})-2-(3-carboxy-4-oxidanyl-phenyl)ethenyl]-2-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H12O6/c17-13-5-3-9(7-11(13)15(19)20)1-2-10-4-6-14(18)12(8-10)16(21)22/h1-8,17-18H,(H,19,20)(H,21,22)/b2-1+ |
| InChIKey | InChI | 1.06 | SEOGGUVUVSSDJX-OWOJBTEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(ccc1O)/C=C/c2ccc(O)c(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(ccc1O)C=Cc2ccc(O)c(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1/C=C/c2ccc(c(c2)C(=O)O)O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C=Cc2ccc(c(c2)C(=O)O)O)C(=O)O)O |
