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CHEBI:44765 - {[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-(3,4-DIFLUOROPHENYL)PROPANE-1,3-DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID)

Default Structure
ChEBI IDCHEBI:44765
ChEBI Name{[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-(3,4-DIFLUOROPHENYL)PROPANE-1,3-DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID)
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC29H23F6N3O6P2
Net Charge0
Average Mass685.454
Monoisotopic Mass685.09663
SMILES[H]OP(=O)(O[H])C(F)(F)c1c([H])c([H])c(C([H])([H])C(c2c([H])c([H])c(F)c(F)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/C29H23F6N3O6P2/c30-23-14-13-22(15-24(23)31)27(38-26-4-2-1-3-25(26)36-37-38,16-18-5-9-20(10-6-18)28(32,33)45(39,40)41)17-19-7-11-21(12-8-19)29(34,35)46(42,43)44/h1-15H,16-17H2,(H2,39,40,41)(H2,42,43,44)
InChIKeyBTAGTGWPDROBMG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
{[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-(3,4-DIFLUOROPHENYL)PROPANE-1,3-DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID) (CHEBI:44765) is a unclassifieds (CHEBI:27189)
Synonyms  Source
{[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-(3,4-DIFLUOROPHENYL)PROPANE-1,3-DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID)PDBeChem
{[2-(1H-benzotriazol-1-yl)-2-(3,4-difluorophenyl)propane-1,3-diyl]bis[benzene-4,1-diyl(difluoromethanediyl)]}bis(phosphonic acid)PDBeChem
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