Chem
J-GLOBAL ID：200907074782797836   Nikkaji number：J2.487.016B

3-(Diethyliminio)-6-(diethylamino)-9-[2-carboxylato-5-(acryloylamino)phenyl]-3H-xanthene

3-(ジエチルイミニオ)-6-(ジエチルアミノ)-9-[2-カルボキシラト-5-(アクリロイルアミノ)フェニル]-3H-キサンテン
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： C31H33N2[N+]O3[O-]
Molecular formula furigana： C31-H33-N3-O4
Molecular weight： 511.622
InChI： InChI=1S/C31H33N3O4/c1-6-29(35)32-20-11-14-23(31(36)37)26(17-20)30-24-15-12-21(33(7-2)8-3)18-27(24)38-28-19-22(13-16-25(28)30)34(9-4)10-5/h6,11-19H,1,7-10H2,2-5H3,(H-,32,35,36,37)
InChI key： ZWCBKCQUKHNCTR-UHFFFAOYSA-N
SMILES： CCN(CC)c1ccc2c(c3cc(NC(=O)C=C)ccc3C(=O)[O-])c3ccc(=[N+](CC)CC)cc3oc2c1
Systematic name  (3)：
  • 3-(ジエチルイミニオ)-6-(ジエチルアミノ)-9-[2-カルボキシラト-5-(アクリロイルアミノ)フェニル]-3H-キサンテン
  • 2-[6-(ジエチルアミノ)-3-(ジエチルイミニウミル)-3H-キサンテン-9-イル]-4-(プロパ-2-エンアミド)ベンゾアート
  • 2-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthen-9-yl]-4-(prop-2-enamido)benzoate
Other name (1)：
  • 3-(Diethyliminio)-6-(diethylamino)-9-[2-carboxylato-5-(acryloylamino)phenyl]-3H-xanthene
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