XHZ
Summary
| Name: | 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde |
| Formula: | C13 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 196.201 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde |
| OpenEye OEToolkits | 2.0.7 | 6-ethynyl-2-oxidanyl-naphthalene-1-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C#Cc1cc2ccc(O)c(C=O)c2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C13H8O2/c1-2-9-3-5-11-10(7-9)4-6-13(15)12(11)8-14/h1,3-8,15H |
| InChIKey | InChI | 1.06 | ZGPOBGPUMFLBIQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc2cc(ccc2c1C=O)C#C |
| SMILES | CACTVS | 3.385 | Oc1ccc2cc(ccc2c1C=O)C#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#Cc1ccc2c(c1)ccc(c2C=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#Cc1ccc2c(c1)ccc(c2C=O)O |
