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RD2

Summary
Name:[(6-hydroxynaphthalen-2-yl)methylene]bis(phosphonic acid)
Formula:C11 H12 O7 P2
Formal charge:0
Formula weight:318.156 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[(6-hydroxynaphthalen-2-yl)methylene]bis(phosphonic acid)
OpenEye OEToolkits2.0.6[(6-oxidanylnaphthalen-2-yl)-phosphono-methyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1ccc2c(c1)ccc(C(P(O)(O)=O)P(O)(=O)O)c2
InChIInChI1.03InChI=1S/C11H12O7P2/c12-10-4-3-7-5-9(2-1-8(7)6-10)11(19(13,14)15)20(16,17)18/h1-6,11-12H,(H2,13,14,15)(H2,16,17,18)
InChIKeyInChI1.03KBQHMDQNDJAVLF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc2cc(ccc2c1)C([P](O)(O)=O)[P](O)(O)=O
SMILESCACTVS3.385Oc1ccc2cc(ccc2c1)C([P](O)(O)=O)[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(cc2c1cc(cc2)O)C(P(=O)(O)O)P(=O)(O)O
SMILESOpenEye OEToolkits2.0.6c1cc(cc2c1cc(cc2)O)C(P(=O)(O)O)P(=O)(O)O

225681

PDB entries from 2024-10-02

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