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028

Summary
Name:(1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID)
Formula:C7 H18 O7 P2
Formal charge:0
Formula weight:276.161 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1-hydroxyheptane-1,1-diyl)bis(phosphonic acid)
OpenEye OEToolkits1.5.0(1-hydroxy-1-phosphono-heptyl)phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)C(O)(CCCCCC)P(=O)(O)O
SMILES_CANONICALCACTVS3.341CCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O
SMILESCACTVS3.341CCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCC(O)(P(=O)(O)O)P(=O)(O)O
SMILESOpenEye OEToolkits1.5.0CCCCCCC(O)(P(=O)(O)O)P(=O)(O)O
InChIInChI1.03InChI=1S/C7H18O7P2/c1-2-3-4-5-6-7(8,15(9,10)11)16(12,13)14/h8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14)
InChIKeyInChI1.03IJEGNOYPWRBKAE-UHFFFAOYSA-N

225158

PDB entries from 2024-09-18

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