DEI

(2Z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid

Created:2008-10-14
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count14
Chiral Atom Count0
Bond Count13
Aromatic Bond Count0
2D diagram of DEI

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Chemical Component Summary

Name(2Z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid
Systematic Name (OpenEye OEToolkits)(Z)-2-hydroxy-3-methylsulfanyl-prop-2-enoic acid
FormulaC4 H6 O3 S
Molecular Weight134.154
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(\O)=C\SC
SMILESCACTVS3.341CSC=C(O)C(O)=O
SMILESOpenEye OEToolkits1.5.0CSC=C(C(=O)O)O
Canonical SMILESCACTVS3.341 CS\C=C(O)\C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CS\C=C(\C(=O)O)/O
InChIInChI1.03 InChI=1S/C4H6O3S/c1-8-2-3(5)4(6)7/h2,5H,1H3,(H,6,7)/b3-2-
InChIKeyInChI1.03 VOKJWIQPUMADMU-IHWYPQMZSA-N

Related Resource References

Resource NameReference
PubChem 49866898