Chem
J-GLOBAL ID：200907000810272660   Nikkaji number：J1.898.872K

(2S,3R,4S)-1-Oxylato-2-[4-(ethoxycarbonyl)-5-methyl-2-furyl]-3,4-dihydroxytetrahydrothiophene-1-ium

(2S,3R,4S)-2-[4-(エトキシカルボニル)-5-メチルフラン-2-イル]-3,4-ジヒドロキシチオラン-1-イウム-1-オラート
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： C12H16O5[O-][S+]
Molecular formula furigana： C12-H16-O6-S
Molecular weight： 288.310
InChI： InChI=1S/C12H16O6S/c1-3-17-12(15)7-4-9(18-6(7)2)11-10(14)8(13)5-19(11)16/h4,8,10-11,13-14H,3,5H2,1-2H3/t8-,10-,11-,19?/m1/s1
InChI key： LHNPENTULUENOD-FNSJNZNHSA-N
SMILES： CCOC(=O)c1cc(oc1C)[C@@H]1[C@H](O)[C@H](O)C[S+]1[O-]
Systematic name  (3)：
  • (2S,3R,4S)-1-オキシラト-2-[4-(エトキシカルボニル)-5-メチル-2-フリル]-3,4-ジヒドロキシテトラヒドロチオフェン-1-イウム
  • (2S,3R,4S)-2-[4-(エトキシカルボニル)-5-メチルフラン-2-イル]-3,4-ジヒドロキシチオラン-1-イウム-1-オラート
  • (2S,3R,4S)-2-[4-(ethoxycarbonyl)-5-methylfuran-2-yl]-3,4-dihydroxythiolan-1-ium-1-olate
Other name (1)：
  • (2S,3R,4S)-1-Oxylato-2-[4-(ethoxycarbonyl)-5-methyl-2-furyl]-3,4-dihydroxytetrahydrothiophene-1-ium
Thsaurus map：
Thesaurus Map

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