8Z6
Summary
Name: | 2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione |
Formula: | C11 H10 O2 S |
Formal charge: | 0 |
Formula weight: | 206.261 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C11H10O2S/c1-7-9(12)5-8(6-10(7)13)11-3-2-4-14-11/h2-4,8H,1,5-6H2 |
InChIKey | InChI | 1.03 | UVAAMJSQZGJWHM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | [CH2]=[C]1C(=O)C[CH](CC1=O)c2sccc2 |
SMILES | CACTVS | 3.385 | [CH2]=[C]1C(=O)C[CH](CC1=O)c2sccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C=C1C(=O)CC(CC1=O)c2cccs2 |
SMILES | OpenEye OEToolkits | 2.0.6 | C=C1C(=O)CC(CC1=O)c2cccs2 |