Chemical Component Summary

Nameendosulfan
Synonyms6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methanobenzo[e][1,3,2]dioxathiepine 3-oxide; (1~{S},2~{R},8~{S},9~{R})-1,9,10,11,12,12-hexakis(chloranyl)-4,6-dioxa-5$l^{4}-thiatricyclo[7.2.1.0^{2,8}]dodec-10-ene 5-oxide
Identifiers(1~{S},2~{R},8~{S},9~{R})-1,9,10,11,12,12-hexakis(chloranyl)-4,6-dioxa-5$l^{4}-thiatricyclo[7.2.1.0^{2,8}]dodec-10-ene 5-oxide
FormulaC9 H6 Cl6 O3 S
Molecular Weight406.925
TypeNON-POLYMER
Isomeric SMILESC1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChIInChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19+
InChIKeyRDYMFSUJUZBWLH-BEJSPLBDSA-N

Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count5
Bond Count27
Aromatic Bond Count0

Related Resource References

Resource NameReference
CCDC/CSD ENSULF02, ENSULF03, ENSULF, ENSULF01