Chem
J-GLOBAL ID：200907035666997873   Nikkaji number：J1.825.428J

4-[4-[4-(Dimethylamino)phenyl]-1,3-butadienyl]-9-methyl-1-thionia-9H-carbazole-2,3-dicarboxylic acid dimethyl ester

4-[4-[4-(ジメチルアミノ)フェニル]-1,3-ブタジエニル]-9-メチル-1-チオニア-9H-カルバゾール-2,3-ジカルボン酸ジメチル
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： C28H27N2O4[S+]
Molecular formula furigana： C28-H27-N2-O4-S
Molecular weight： 487.590
InChI： InChI=1S/C28H27N2O4S/c1-29(2)19-16-14-18(15-17-19)10-6-7-12-21-23-20-11-8-9-13-22(20)30(3)26(23)35-25(28(32)34-5)24(21)27(31)33-4/h6-17H,1-5H3/q+1
InChI key： UOFSFOOVTYLIKR-UHFFFAOYSA-N
SMILES： COC(=O)c1[s+]c2n(C)c3ccccc3c2c(C=CC=Cc2ccc(cc2)N(C)C)c1C(=O)OC
Systematic name  (4)：
  • 4-[4-[4-(ジメチルアミノ)フェニル]-1,3-ブタジエニル]-9-メチル-1-チオニア-9-アザ-9H-フルオレン-2,3-ジカルボン酸ジメチル
  • 4-[4-[4-(ジメチルアミノ)フェニル]-1,3-ブタジエニル]-9-メチル-1-チオニア-9H-カルバゾール-2,3-ジカルボン酸ジメチル
  • 4-{4-[4-(ジメチルアミノ)フェニル]ブタ-1,3-ジエン-1-イル}-2,3-ビス(メトキシカルボニル)-9-メチル-9H-1λ4-チオピラノ[2,3-b]インドール-1-イリウム
  • 4-{4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl}-2,3-bis(methoxycarbonyl)-9-methyl-9H-1λ4-thiopyrano[2,3-b]indol-1-ylium
Other name (2)：
  • 4-[4-[4-(Dimethylamino)phenyl]-1,3-butadienyl]-9-methyl-1-thionia-9-aza-9H-fluorene-2,3-dicarboxylic acid dimethyl ester
  • 4-[4-[4-(Dimethylamino)phenyl]-1,3-butadienyl]-9-methyl-1-thionia-9H-carbazole-2,3-dicarboxylic acid dimethyl ester
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