BIK
Summary
| Name: | 3,7-DIHYDROXY-2-NAPHTHOIC ACID |
| Synonyms: | 3,7-DIHYDROXYNAPHTHALENE-2-CARBOXYLIC ACID |
| Formula: | C11 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 204.179 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,7-dihydroxynaphthalene-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 3,7-dihydroxynaphthalene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c2cc1c(ccc(O)c1)cc2O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cc2cc(O)ccc2cc1O |
| SMILES | CACTVS | 3.341 | OC(=O)c1cc2cc(O)ccc2cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc(c(c2)C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc(c(c2)C(=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H8O4/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,12-13H,(H,14,15) |
| InChIKey | InChI | 1.03 | QMWOUSYSNFCKAZ-UHFFFAOYSA-N |
