| Status: | ISO 1750 (approved) |
|---|---|
| IUPAC PIN: | equimolar mixture of 2 asymmetric, twisted-chair conformers of (5aR,6S,9R,9aS)-6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-3H-6,9-methano-2,4,3λ4-benzodioxathiepin-3-one |
| IUPAC name: | equimolar mixture of 2 asymmetric, twisted-chair conformers of (5aR,6S,9R,9aS)-6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3-oxide |
| CAS name: | (3α,5aβ,6α,9α,9aβ)-6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3-oxide |
| CAS Reg. No.: | 959-98-8 |
| Formula: | C9H6Cl6O3S |
| Activity: | insecticides (chlorinated cyclodiene) |
| Notes: | This substance is one of the two components of commercial endosulfan [115-29-7]. The α- and β-forms of endosulfan were originally misidentified as different geometric isomers, and were later shown by Schmidt et al. to be different conformations of a single isomer: Schmidt WF, Hapeman CJ, Fettinger JC, Rice CP, Bilboulian S. Structure and asymmetry in the isomeric conversion of β- to α-endosulfan. Journal of Agricultural and Food Chemistry 1997;45(4):1023–1026 DOI: 10.1021/jf970020t Schmidt WF, Bilboulian S, Rice CP, Fettinger JC, McConnell LL, Hapeman CJ. Thermodynamic, spectroscopic, and computational evidence for the irreversible conversion of β- to α-endosulfan. Journal of Agricultural and Food Chemistry 2001;49(11):5372–5376 DOI: 10.1021/jf0102214 |
| Structure: |  |
| Pronunciation: | ǎl-fa ěn-dō-sǔl-fǎn Guide to British pronunciation |
| InChIKey: | RDYMFSUJUZBWLH-AZVNHNRSSA-N |
| InChI: | InChI=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? |