C2Z

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Summary

Name:5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid
Synonyms:[5-(5-hydroxy-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid
Formula:C7 H6 N O6 P
Formal charge:0
Molecular weight:231.099 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[5-(5-hydroxy-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid
OpenEye OEToolkits1.9.2[5-(5-oxidanyl-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OP(c1ccc(o1)c2cc(O)on2)(O)=O
InChIInChI1.03InChI=1S/C7H6NO6P/c9-6-3-4(8-14-6)5-1-2-7(13-5)15(10,11)12/h1-3,9H,(H2,10,11,12)
InChIKeyInChI1.03BRLJHMCTDKAUAY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1onc(c1)c2oc(cc2)[P](O)(O)=O
SMILESCACTVS3.385Oc1onc(c1)c2oc(cc2)[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(oc1c2cc(on2)O)P(=O)(O)O
SMILESOpenEye OEToolkits1.9.2c1cc(oc1c2cc(on2)O)P(=O)(O)O