Chem
J-GLOBAL ID：200907000139425880   Nikkaji number：J2.417.526J

5-[4-(Dimethylamino)phenyl]-2-(1,3-dithiane-2-ylidene)4-pentenoic acid sodium salt

5-[4-(ジメチルアミノ)フェニル]-2-(1,3-ジチアン-2-イリデン)4-ペンテン酸ナトリウム
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： C17H20NNaO2S2
Molecular formula furigana： C17-H20-N-NA-O2-S2
Molecular weight： 357.460
InChI： InChI=1S/C17H21NO2S2.Na/c1-18(2)14-9-7-13(8-10-14)5-3-6-15(16(19)20)17-21-11-4-12-22-17;/h3,5,7-10H,4,6,11-12H2,1-2H3,(H,19,20);/q;+1/p-1
InChI key： IFRDDWAUKGVPKH-UHFFFAOYSA-M
SMILES： CN(C)c1ccc(C=CCC(=C2SCCCS2)C(=O)O[Na])cc1
Systematic name  (3)：
  • 5-[4-(ジメチルアミノ)フェニル]-2-(1,3-ジチアン-2-イリデン)4-ペンテン酸ナトリウム
  • ナトリウム 5-[4-(ジメチルアミノ)フェニル]-2-(1,3-ジチアン-2-イリデン)ペンタ-4-エノアート
  • sodium 5-[4-(dimethylamino)phenyl]-2-(1,3-dithian-2-ylidene)pent-4-enoate
Other name (1)：
  • 5-[4-(Dimethylamino)phenyl]-2-(1,3-dithiane-2-ylidene)4-pentenoic acid sodium salt
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