Chem
J-GLOBAL ID:201007010900370039   Nikkaji number:J2.787.086D

Coumaphos syn-dimer

syn-クマホス二量体
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C28H32Cl2O10P2S2
Molecular formula furigana: C28-H32-CL2-O10-P2-S2
Molecular weight: 725.520
InChI: InChI=1S/C28H32Cl2O10P2S2/c1-7-33-41(43,34-8-2)39-17-11-13-19-21(15-17)37-23(31)27(29)25(19,5)28(30)24(32)38-22-16-18(12-14-20(22)26(27,28)6)40-42(44,35-9-3)36-10-4/h11-16H,7-10H2,1-6H3/t25-,26-,27-,28-
InChI key: KPPSNIXPCINDBZ-PCYFZWJMSA-N
SMILES: CCOP(=S)(OCC)Oc1ccc2c(OC(=O)[C@@]3(Cl)[C@]2(C)[C@]2(Cl)C(=O)Oc4cc(OP(=S)(OCC)OCC)ccc4[C@]32C)c1
Systematic name  (3):
  • 3,9-ビス(ジエトキシチオキソホスホラニルオキシ)-6aα,12aα-ジクロロ-6bα,12bα-ジメチル-6a,6b,12a,12b-テトラヒドロ-6H,12H-シクロブタ[1,2-c:3,4-c′]ビス[1]ベンゾピラン-6,12-ジオン
  • O-(1R,2S,11S,12R)-1,11-ジクロロ-16-{[ジエトキシ(スルファニリデン)-λ5-ホスファニル]オキシ}-2,12-ジメチル-10,20-ジオキソ-9,19-ジオキサペンタシクロ[10.8.0.02,11.03,8.013,18]イコサ-3,5,7,13,15,17-ヘキサエン-6-イル O,O-ジエチル ホスホロチオアート
  • O-(1R,2S,11S,12R)-1,11-dichloro-16-{[diethoxy(sulfanylidene)-λ5-phosphanyl]oxy}-2,12-dimethyl-10,20-dioxo-9,19-dioxapentacyclo[10.8.0.02,11.03,8.013,18]icosa-3,5,7,13,15,17-hexaen-6-yl O,O-diethyl phosphorothioate
Other name (3):
  • 3,9-Bis(diethoxythioxophosphoranyloxy)-6aα,12aα-dichloro-6bα,12bα-dimethyl-6a,6b,12a,12b-tetrahydro-6H,12H-cyclobuta[1,2-c:3,4-c′]bis[1]benzopyran-6,12-dione
  • Coumaphos syn-dimer
  • syn-クマホス二量体
KEGG COMPOUND: C11027
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