Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

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

ProgramVersionName
OpenEye OEToolkits2.0.62-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H10O2S/c1-7-9(12)5-8(6-10(7)13)11-3-2-4-14-11/h2-4,8H,1,5-6H2
InChIKeyInChI1.03UVAAMJSQZGJWHM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385[CH2]=[C]1C(=O)C[CH](CC1=O)c2sccc2
SMILESCACTVS3.385[CH2]=[C]1C(=O)C[CH](CC1=O)c2sccc2
SMILES_CANONICALOpenEye OEToolkits2.0.6C=C1C(=O)CC(CC1=O)c2cccs2
SMILESOpenEye OEToolkits2.0.6C=C1C(=O)CC(CC1=O)c2cccs2

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon