0CG

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Summary

Name:prop-2-yn-1-yl trihydrogen diphosphate
Formula:C3 H6 O7 P2
Formal charge:0
Molecular weight:216.023 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01prop-2-yn-1-yl trihydrogen diphosphate
OpenEye OEToolkits1.7.6phosphono prop-2-ynyl hydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)OP(=O)(OCC#C)O
InChIInChI1.03InChI=1S/C3H6O7P2/c1-2-3-9-12(7,8)10-11(4,5)6/h1H,3H2,(H,7,8)(H2,4,5,6)
InChIKeyInChI1.03CEUAGVILADDFJF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370O[P](O)(=O)O[P](O)(=O)OCC#C
SMILESCACTVS3.370O[P](O)(=O)O[P](O)(=O)OCC#C
SMILES_CANONICALOpenEye OEToolkits1.7.6C#CCOP(=O)(O)OP(=O)(O)O
SMILESOpenEye OEToolkits1.7.6C#CCOP(=O)(O)OP(=O)(O)O