Chem
J-GLOBAL ID:200907025573397757   Nikkaji number:J1.855.807F

(2S,3S)-1-(Isopropylthio)-3,7,11-trimethyl-6,10-dodecadiene-2,3-diol bis(dichloroacetate)

(2S,3S)-1-(イソプロピルチオ)-3,7,11-トリメチル-6,10-ドデカジエン-2,3-ジオールビス(ジクロロアセタート)
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: C22H34Cl4O4S
Molecular formula furigana: C22-H34-CL4-O4-S
Molecular weight: 536.370
InChI: InChI=1S/C22H34Cl4O4S/c1-14(2)9-7-10-16(5)11-8-12-22(6,30-21(28)19(25)26)17(13-31-15(3)4)29-20(27)18(23)24/h9,11,15,17-19H,7-8,10,12-13H2,1-6H3/t17-,22+/m1/s1
InChI key: IXATWZXVYRSNPH-VGSWGCGISA-N
SMILES: CC(C)SC[C@@H](OC(=O)C(Cl)Cl)[C@](C)(CCC=C(C)CCC=C(C)C)OC(=O)C(Cl)Cl
Systematic name  (3):
  • (2S,3S)-1-(イソプロピルチオ)-3,7,11-トリメチル-6,10-ドデカジエン-2,3-ジオールビス(ジクロロアセタート)
  • (2S,3S)-2-[(2,2-ジクロロアセチル)オキシ]-3,7,11-トリメチル-1-(プロパン-2-イルスルファニル)ドデカ-6,10-ジエン-3-イル 2,2-ジクロロアセタート
  • (2S,3S)-2-[(2,2-dichloroacetyl)oxy]-3,7,11-trimethyl-1-(propan-2-ylsulfanyl)dodeca-6,10-dien-3-yl 2,2-dichloroacetate
Other name (1):
  • (2S,3S)-1-(Isopropylthio)-3,7,11-trimethyl-6,10-dodecadiene-2,3-diol bis(dichloroacetate)
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