D5S
Summary
| Name: | 5-[(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid |
| Synonyms: | 5,5'-Methylenedisalicylic acid |
| Formula: | C15 H12 O6 |
| Formal charge: | 0 |
| Formula weight: | 288.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21) |
| InChIKey | InChI | 1.03 | JWQFKVGACKJIAV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cc2ccc(c(c2)C(=O)O)O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cc2ccc(c(c2)C(=O)O)O)C(=O)O)O |
