8WB
Summary
| Name: | 2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one |
| Formula: | C17 H18 O5 |
| Formal charge: | 0 |
| Formula weight: | 302.322 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H18O5/c1-19-14-9-6-11(5-8-13(14)18)12-7-10-15(20-2)17(22-4)16(12)21-3/h5-10H,1-4H3 |
| InChIKey | InChI | 1.03 | QIMGSZURBOTPMW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC1=CC=C(C=CC1=O)c2ccc(OC)c(OC)c2OC |
| SMILES | CACTVS | 3.385 | COC1=CC=C(C=CC1=O)c2ccc(OC)c(OC)c2OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(c(c1OC)OC)C2=CC=C(C(=O)C=C2)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(c(c1OC)OC)C2=CC=C(C(=O)C=C2)OC |
