7KL

3-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}prop-2-enoic acid


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Chemical Component Summary

Name3-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}prop-2-enoic acid
Identifiers3-[4-[(1~{S},4~{S},6~{R})-6-(3-chloranylphenoxy)sulfonyl-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl]prop-2-enoic acid
FormulaC27 H21 Cl O7 S
Molecular Weight524.969
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CC(=O)O)c5ccc(cc5)O
InChIInChI=1S/C27H21ClO7S/c28-19-2-1-3-21(14-19)35-36(32,33)23-15-22-25(17-9-11-20(29)12-10-17)26(27(23)34-22)18-7-4-16(5-8-18)6-13-24(30)31/h1-14,22-23,27,29H,15H2,(H,30,31)/t22-,23+,27+/m0/s1
InChIKeyZXRUJVFKCWJEED-QHWMMSMNSA-N

Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count3
Bond Count61
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 137348633