IJV
Summary
Name: | 3,5-dimethoxy-4-oxidanyl-benzaldehyde |
Synonyms: | Syringaldehyde |
Formula: | C9 H10 O4 |
Formal charge: | 0 |
Formula weight: | 182.173 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 3,5-dimethoxy-4-oxidanyl-benzaldehyde |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3 |
InChIKey | InChI | 1.06 | KCDXJAYRVLXPFO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(C=O)cc(OC)c1O |
SMILES | CACTVS | 3.385 | COc1cc(C=O)cc(OC)c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1O)OC)C=O |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1O)OC)C=O |