TWT

DOCOSANE

Created:2002-05-24
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count0
Bond Count67
Aromatic Bond Count0
2D diagram of TWT

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Chemical Component Summary

NameDOCOSANE
Systematic Name (OpenEye OEToolkits)docosane
FormulaC22 H46
Molecular Weight310.601
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04C(CCCCCCCCCCCCCCCCCC)CCC
SMILESCACTVS3.341CCCCCCCCCCCCCCCCCCCCCC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCCCCCCCCCCC
Canonical SMILESCACTVS3.341 CCCCCCCCCCCCCCCCCCCCCC
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCCCCCCCCCCCCCCC
InChIInChI1.03 InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKeyInChI1.03 HOWGUJZVBDQJKV-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 12405
ChEBI CHEBI:46050