Chemical Component Summary

Name4-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Identifiers(4-bromophenyl) (1S,4S,5R)-2,3-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-5-sulfonate
FormulaC24 H19 Br O6 S
Molecular Weight515.373
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O)O
InChIInChI=1S/C24H19BrO6S/c25-16-5-11-19(12-6-16)31-32(28,29)21-13-20-22(14-1-7-17(26)8-2-14)23(24(21)30-20)15-3-9-18(27)10-4-15/h1-12,20-21,24,26-27H,13H2/t20-,21+,24+/m0/s1
InChIKeyCUIVJALDVYFMBH-YZUZCNPQSA-N

Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count3
Bond Count55
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 118988347