NDD
Summary
| Name: | 2,6-DICARBOXYNAPHTHALENE |
| Formula: | C12 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 216.19 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | naphthalene-2,6-dicarboxylic acid |
| OpenEye OEToolkits | 1.5.0 | naphthalene-2,6-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1ccc2c(c1)ccc(C(=O)O)c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccc2cc(ccc2c1)C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)c1ccc2cc(ccc2c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc(cc2)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc(cc2)C(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16) |
| InChIKey | InChI | 1.03 | RXOHFPCZGPKIRD-UHFFFAOYSA-N |
