Chem
J-GLOBAL ID:201007010900370039
Nikkaji number:J2.787.086D
Coumaphos syn-dimer
syn-クマホス二量体
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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:
C28 H32 Cl2 O10 P2 S2
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
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