OB9

(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide


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Chemical Component Summary

Name(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
Identifiers(1S,4S,5R)-2,3-bis(4-hydroxyphenyl)-N-phenyl-N-[2,2,2-tris(fluoranyl)ethyl]-7-oxabicyclo[2.2.1]hept-2-ene-5-sulfonamide
FormulaC26 H22 F3 N O5 S
Molecular Weight517.517
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O
InChIInChI=1S/C26H22F3NO5S/c27-26(28,29)15-30(18-4-2-1-3-5-18)36(33,34)22-14-21-23(16-6-10-19(31)11-7-16)24(25(22)35-21)17-8-12-20(32)13-9-17/h1-13,21-22,25,31-32H,14-15H2/t21-,22+,25+/m0/s1
InChIKeyIKDGMHLBCBZLCS-SGIRGMQISA-N

Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count3
Bond Count62
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 119058102