Chem
J-GLOBAL ID:200907048320500225   Nikkaji number:J1.717.227A

N,N-Diethyl-4-[1-oxylato-2-[2,6-dihydroxy-4-(diethylamino)phenyl]-3-oxocyclobutene-4-ylidene]-3,5-dihydroxy-2,5-cyclohexadiene-1-ylideneiminium

2-[4-(ジエチルアミノ)-2,6-ジヒドロキシフェニル]-4-[4-(ジエチルイミニウミル)-2,6-ジヒドロキシシクロヘキサ-2,5-ジエン-1-イリデン]-3-オキソシクロブタ-1-エン-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: C24H28N[N+]O5[O-]
Molecular formula furigana: C24-H28-N2-O6
Molecular weight: 440.496
InChI: InChI=1S/C24H28N2O6/c1-5-25(6-2)13-9-15(27)19(16(28)10-13)21-23(31)22(24(21)32)20-17(29)11-14(12-18(20)30)26(7-3)8-4/h9-12H,5-8H2,1-4H3,(H4,27,28,29,30,31,32)
InChI key: ZNWSXGVERRGQOM-UHFFFAOYSA-N
SMILES: CCN(CC)c1cc(O)c(C2=C([O-])/C(=C/3\C(=CC(=[N+](CC)CC)C=C3O)O)/C2=O)c(O)c1
Systematic name  (3):
  • N,N-ジエチル-4-[1-オキシラト-2-[2,6-ジヒドロキシ-4-(ジエチルアミノ)フェニル]-3-オキソシクロブテン-4-イリデン]-3,5-ジヒドロキシ-2,5-シクロヘキサジエン-1-イリデンイミニウム
  • 2-[4-(ジエチルアミノ)-2,6-ジヒドロキシフェニル]-4-[4-(ジエチルイミニウミル)-2,6-ジヒドロキシシクロヘキサ-2,5-ジエン-1-イリデン]-3-オキソシクロブタ-1-エン-1-オラート
  • 2-[4-(diethylamino)-2,6-dihydroxyphenyl]-4-[4-(diethyliminiumyl)-2,6-dihydroxycyclohexa-2,5-dien-1-ylidene]-3-oxocyclobut-1-en-1-olate
Other name (1):
  • N,N-Diethyl-4-[1-oxylato-2-[2,6-dihydroxy-4-(diethylamino)phenyl]-3-oxocyclobutene-4-ylidene]-3,5-dihydroxy-2,5-cyclohexadiene-1-ylideneiminium
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