Chem
J-GLOBAL ID:201207089624154750   Nikkaji number:J3.077.038B

4-[4-(Dibutyliminio)-2-hydroxy-2,5-cyclohexadienylidene]-2-[4-(dibutylamino)-2-hydroxyphenyl]-3-thioxocyclobutene-1-olate

4-[4-(ジブチルイミニオ)-2-ヒドロキシ-2,5-シクロヘキサジエニリデン]-2-[4-(ジブチルアミノ)-2-ヒドロキシフェニル]-3-チオキソシクロブテン-1-オラート
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: C32H44N[N+]O2[O-]S
Molecular formula furigana: C32-H44-N2-O3-S
Molecular weight: 536.780
InChI: InChI=1S/C32H44N2O3S/c1-5-9-17-33(18-10-6-2)23-13-15-25(27(35)21-23)29-31(37)30(32(29)38)26-16-14-24(22-28(26)36)34(19-11-7-3)20-12-8-4/h13-16,21-22H,5-12,17-20H2,1-4H3,(H2,35,36,37,38)
InChI key: AWWJQGPJIOXJGA-UHFFFAOYSA-N
SMILES: CCCCN(CCCC)c1ccc(C2=C([O-])C(=C3C=CC(=[N+](CCCC)CCCC)C=C3O)C2=S)c(O)c1
Systematic name  (4):
  • 2-[4-(ジブチルアミノ)-2-ヒドロキシフェニル]-4-[4-(ジブチルイミニオ)-2-ヒドロキシ-2,5-シクロヘキサジエニリデン]-3-チオキソ-1-シクロブテン-1-オールアニオン
  • 4-[4-(ジブチルイミニオ)-2-ヒドロキシ-2,5-シクロヘキサジエニリデン]-2-[4-(ジブチルアミノ)-2-ヒドロキシフェニル]-3-チオキソシクロブテン-1-オラート
  • 2-[4-(ジブチルアミノ)-2-ヒドロキシフェニル]-4-[4-(ジブチルイミニウミル)-2-ヒドロキシシクロヘキサ-2,5-ジエン-1-イリデン]-3-スルファニリデンシクロブタ-1-エン-1-オラート
  • 2-[4-(dibutylamino)-2-hydroxyphenyl]-4-[4-(dibutyliminiumyl)-2-hydroxycyclohexa-2,5-dien-1-ylidene]-3-sulfanylidenecyclobut-1-en-1-olate
Other name (2):
  • 2-[4-(Dibutylamino)-2-hydroxyphenyl]-4-[4-(dibutyliminio)-2-hydroxy-2,5-cyclohexadienylidene]-3-thioxo-1-cyclobutene-1-ol anion
  • 4-[4-(Dibutyliminio)-2-hydroxy-2,5-cyclohexadienylidene]-2-[4-(dibutylamino)-2-hydroxyphenyl]-3-thioxocyclobutene-1-olate
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