6ZE
Summary
| Name: | 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one |
| Formula: | C17 H18 O3 |
| Formal charge: | 0 |
| Formula weight: | 270.323 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one |
| OpenEye OEToolkits | 2.0.5 | 2,3,5-trimethyl-6-propyl-furo[3,2-g]chromen-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c32c(cc1c(c(C)oc1c2)C)C(C)=C(C(=O)O3)CCC |
| InChI | InChI | 1.03 | InChI=1S/C17H18O3/c1-5-6-12-10(3)14-7-13-9(2)11(4)19-15(13)8-16(14)20-17(12)18/h7-8H,5-6H2,1-4H3 |
| InChIKey | InChI | 1.03 | ADGUVFJYVNRVPX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC1=C(C)c2cc3c(C)c(C)oc3cc2OC1=O |
| SMILES | CACTVS | 3.385 | CCCC1=C(C)c2cc3c(C)c(C)oc3cc2OC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCCC1=C(c2cc3c(c(oc3cc2OC1=O)C)C)C |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCCC1=C(c2cc3c(c(oc3cc2OC1=O)C)C)C |
