Chem
J-GLOBAL ID：201007056038699853   Nikkaji number：J2.881.825D

3,6-Bis(diethylamino)-9-(2-carboxyphenyl)-9H-xanthene-9-ylium

3,6-ビス(ジエチルアミノ)-9-(2-カルボキシフェニル)-9H-キサンテン-9-イリウム
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： C27[C+]H31N2O3
Molecular formula furigana： C28-H31-N2-O3
Molecular weight： 443.566
InChI： InChI=1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18H,5-8H2,1-4H3/p+1
InChI key： CVAVMIODJQHEEH-UHFFFAOYSA-O
SMILES： CCN(CC)c1ccc2[C+](c3ccccc3C(=O)O)c3ccc(cc3Oc2c1)N(CC)CC
Systematic name  (3)：
  • 3,6-ビス(ジエチルアミノ)-9-(2-カルボキシフェニル)-9H-キサンテン-9-イリウム
  • 9-(2-カルボキシフェニル)-3,6-ビス(ジエチルアミノ)-9H-キサンテン-9-イリウム
  • 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-9H-xanthen-9-ylium
Other name (1)：
  • 3,6-Bis(diethylamino)-9-(2-carboxyphenyl)-9H-xanthene-9-ylium
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