Chem
J-GLOBAL ID：200907095217359296   Nikkaji number：J2.179.597F

2-[4-(Dioctylamino)phenyl]-4-[[[1-(carboxymethyl)-3,3-dimethyl-3H-indole-1-ium]-2-yl]methylene]-3-oxo-1-cyclobutene-1-olanion

2-[4-(ジオクチルアミノ)フェニル]-4-[[[1-(カルボキシメチル)-3,3-ジメチル-3H-インドール-1-イウム]-2-イル]メチレン]-3-オキソ-1-シクロブテン-1-オールアニオン
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： C39H52N[N+]O3[O-]
Molecular formula furigana： C39-H52-N2-O4
Molecular weight： 612.855
InChI： InChI=1S/C39H52N2O4/c1-5-7-9-11-13-17-25-40(26-18-14-12-10-8-6-2)30-23-21-29(22-24-30)36-37(44)31(38(36)45)27-34-39(3,4)32-19-15-16-20-33(32)41(34)28-35(42)43/h15-16,19-24,27H,5-14,17-18,25-26,28H2,1-4H3,(H-,42,43,44,45)
InChI key： KVUYBDMIWWBUNV-UHFFFAOYSA-N
SMILES： CCCCCCCCN(CCCCCCCC)c1ccc(cc1)C1=C([O-])/C(=C/C2=[N+](CC(=O)O)c3ccccc3C2(C)C)/C1=O
Systematic name  (3)：
  • 2-[4-(ジオクチルアミノ)フェニル]-4-[[[1-(カルボキシメチル)-3,3-ジメチル-3H-インドール-1-イウム]-2-イル]メチレン]-3-オキソ-1-シクロブテン-1-オールアニオン
  • 1-(カルボキシメチル)-2-{[(1Z)-3-[4-(ジオクチルアミノ)フェニル]-2-オキシド-4-オキソシクロブタ-2-エン-1-イリデン]メチル}-3,3-ジメチル-3H-インドール-1-イウム
  • 1-(carboxymethyl)-2-{[(1Z)-3-[4-(dioctylamino)phenyl]-2-oxido-4-oxocyclobut-2-en-1-ylidene]methyl}-3,3-dimethyl-3H-indol-1-ium
Other name (1)：
  • 2-[4-(Dioctylamino)phenyl]-4-[[[1-(carboxymethyl)-3,3-dimethyl-3H-indole-1-ium]-2-yl]methylene]-3-oxo-1-cyclobutene-1-olanion
Thsaurus map：
Thesaurus Map

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