Chem
J-GLOBAL ID:200907051680770887   Nikkaji number:J2.423.316B

[4-[2-Oxylato-3-[4-(dibutylamino)-1-anthryl]-4-oxo-2-cyclobutene-1-ylidene]-1,4-dihydroanthracene-1-ylidene]dimethyliminium

[4-[2-オキシラト-3-[4-(ジブチルアミノ)-1-アントリル]-4-オキソ-2-シクロブテン-1-イリデン]-1,4-ジヒドロアントラセン-1-イリデン]ジメチルイミニウム
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: C42H40N[N+]O[O-]
Molecular formula furigana: C42-H40-N2-O2
Molecular weight: 604.794
InChI: InChI=1S/C42H40N2O2/c1-5-7-21-44(22-8-6-2)38-20-18-32(34-24-28-14-10-12-16-30(28)26-36(34)38)40-41(45)39(42(40)46)31-17-19-37(43(3)4)35-25-29-15-11-9-13-27(29)23-33(31)35/h9-20,23-26H,5-8,21-22H2,1-4H3
InChI key: DXUMNICQWFMOCZ-UHFFFAOYSA-N
SMILES: CCCCN(CCCC)c1ccc(C2=C([O-])/C(=C/3\C=CC(=[N+](C)C)c4cc5ccccc5cc34)/C2=O)c2cc3ccccc3cc12
Systematic name  (3):
  • [4-[2-オキシラト-3-[4-(ジブチルアミノ)-1-アントリル]-4-オキソ-2-シクロブテン-1-イリデン]-1,4-ジヒドロアントラセン-1-イリデン]ジメチルイミニウム
  • 2-[4-(ジブチルアミノ)アントラセン-1-イル]-4-[(1Z)-4-(ジメチルイミニウミル)-1,4-ジヒドロアントラセン-1-イリデン]-3-オキソシクロブタ-1-エン-1-オラート
  • 2-[4-(dibutylamino)anthracen-1-yl]-4-[(1Z)-4-(dimethyliminiumyl)-1,4-dihydroanthracen-1-ylidene]-3-oxocyclobut-1-en-1-olate
Other name (1):
  • [4-[2-Oxylato-3-[4-(dibutylamino)-1-anthryl]-4-oxo-2-cyclobutene-1-ylidene]-1,4-dihydroanthracene-1-ylidene]dimethyliminium
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