Chem
J-GLOBAL ID：201707007519792823   Nikkaji number：J3.638.665G

2-[2-Methyl-4-(ethyl 3-sulfopropylamino)phenyl]-4-[2-methyl-4-(ethyl 3-sulfopropyliminio)-2,5-cyclohexadienylidene]-1-cyclobutene-3-one

2-[2-メチル-4-(エチル3-スルホプロピルアミノ)フェニル]-4-[2-メチル-4-(エチル3-スルホプロピルイミニオ)-2,5-シクロヘキサジエニリデン]-1-シクロブテン-3-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： C28H37N[N+]O7S2
Molecular formula furigana： C28-H37-N2-O7-S2
Molecular weight： 577.730
InChI： InChI=1S/C28H36N2O7S2/c1-5-29(13-7-15-38(32,33)34)22-9-11-24(20(3)17-22)26-19-27(28(26)31)25-12-10-23(18-21(25)4)30(6-2)14-8-16-39(35,36)37/h9-12,17-19H,5-8,13-16H2,1-4H3,(H-,32,33,34,35,36,37)/p+1
InChI key： KAOBWQFYSSVEDF-UHFFFAOYSA-O
SMILES： CCN(CCCS(=O)(=O)O)c1ccc(C2=CC(=C3C=CC(=[N+](CC)CCCS(=O)(=O)O)C=C3C)C2=O)c(C)c1
Systematic name  (3)：
  • 2-[2-メチル-4-(エチル3-スルホプロピルアミノ)フェニル]-4-[2-メチル-4-(エチル3-スルホプロピルイミニオ)-2,5-シクロヘキサジエニリデン]-1-シクロブテン-3-オン
  • N-エチル-4-(3-{4-[エチル(3-スルホプロピル)アミノ]-2-メチルフェニル}-4-オキソシクロブタ-2-エン-1-イリデン)-3-メチル-N-(3-スルホプロピル)シクロヘキサ-2,5-ジエン-1-イミニウム
  • N-ethyl-4-(3-{4-[ethyl(3-sulfopropyl)amino]-2-methylphenyl}-4-oxocyclobut-2-en-1-ylidene)-3-methyl-N-(3-sulfopropyl)cyclohexa-2,5-dien-1-iminium
Other name (1)：
  • 2-[2-Methyl-4-(ethyl 3-sulfopropylamino)phenyl]-4-[2-methyl-4-(ethyl 3-sulfopropyliminio)-2,5-cyclohexadienylidene]-1-cyclobutene-3-one
Thsaurus map：
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