7NA
Summary
| Name: | 2-hydroxy-7-methoxy-5-methyl naphthoic acid |
| Synonyms: | 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid |
| Formula: | C13 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 232.232 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid |
| OpenEye OEToolkits | 1.6.1 | 2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)c1c2c(ccc1O)c(cc(OC)c2)C |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1cc(C)c2ccc(O)c(C(O)=O)c2c1 |
| SMILES | CACTVS | 3.352 | COc1cc(C)c2ccc(O)c(C(O)=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(cc2c1ccc(c2C(=O)O)O)OC |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(cc2c1ccc(c2C(=O)O)O)OC |
| InChI | InChI | 1.03 | InChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16) |
| InChIKey | InChI | 1.03 | LYGUXQMPYLCEGL-UHFFFAOYSA-N |
