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CHEBI:39889 - [4-(2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACID

Default Structure
ChEBI IDCHEBI:39889
ChEBI Name[4-(2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC29H25F4N3O6P2
Net Charge0
Average Mass649.474
Monoisotopic Mass649.11547
SMILES[H]OP(=O)(O[H])C(F)(F)c1c([H])c([H])c(C([H])([H])C(c2c([H])c([H])c([H])c([H])c2[H])(n2nnc3c([H])c([H])c([H])c([H])c32)C([H])([H])c2c([H])c([H])c(C(F)(F)P(=O)(O[H])O[H])c([H])c2[H])c([H])c1[H]
InChIInChI=1S/C29H25F4N3O6P2/c30-28(31,43(37,38)39)23-14-10-20(11-15-23)18-27(22-6-2-1-3-7-22,36-26-9-5-4-8-25(26)34-35-36)19-21-12-16-24(17-13-21)29(32,33)44(40,41)42/h1-17H,18-19H2,(H2,37,38,39)(H2,40,41,42)
InChIKeyWNNXXNZHCLRWMD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[4-(2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACID (CHEBI:39889) is a unclassifieds (CHEBI:27189)
Synonyms  Source
{[2-(1H-benzotriazol-1-yl)-2-phenylpropane-1,3-diyl]bis[benzene-4,1-diyl(difluoromethanediyl)]}bis(phosphonic acid)PDBeChem
[4-(2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACIDPDBeChem
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