A1BFB
Summary
| Name: | 2-oxo-4-propyl-2H-1-benzopyran-7-yl acetate |
| Formula: | C14 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 246.259 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-oxo-4-propyl-2H-1-benzopyran-7-yl acetate |
| OpenEye OEToolkits | 3.1.0.0 | (2-oxidanylidene-4-propyl-chromen-7-yl) ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(=O)Oc1ccc2c(c1)OC(=O)C=C2CCC |
| InChI | InChI | 1.06 | InChI=1S/C14H14O4/c1-3-4-10-7-14(16)18-13-8-11(17-9(2)15)5-6-12(10)13/h5-8H,3-4H2,1-2H3 |
| InChIKey | InChI | 1.06 | LYHONYWOPDLTBH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC1=CC(=O)Oc2cc(OC(C)=O)ccc12 |
| SMILES | CACTVS | 3.385 | CCCC1=CC(=O)Oc2cc(OC(C)=O)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCC1=CC(=O)Oc2c1ccc(c2)OC(=O)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCC1=CC(=O)Oc2c1ccc(c2)OC(=O)C |
