Chem
J-GLOBAL ID：200907062681987415   Nikkaji number：J2.179.598D

2-[4-(Dioctylamino)phenyl]-4-[[[3-(carboxymethyl)benzothiazole-3-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-[[[3-(カルボキシメチル)ベンゾチアゾール-3-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： C36H46N[N+]O3[O-]S
Molecular formula furigana： C36-H46-N2-O4-S
Molecular weight： 602.830
InChI： InChI=1S/C36H46N2O4S/c1-3-5-7-9-11-15-23-37(24-16-12-10-8-6-4-2)28-21-19-27(20-22-28)34-35(41)29(36(34)42)25-32-38(26-33(39)40)30-17-13-14-18-31(30)43-32/h13-14,17-22,25H,3-12,15-16,23-24,26H2,1-2H3,(H-,39,40,41,42)
InChI key： HWYFXIUKVSVQJC-UHFFFAOYSA-N
SMILES： CCCCCCCCN(CCCCCCCC)c1ccc(cc1)C1=C([O-])/C(=C/c2sc3ccccc3[n+]2CC(=O)O)/C1=O
Systematic name  (3)：
  • 2-[4-(ジオクチルアミノ)フェニル]-4-[[[3-(カルボキシメチル)ベンゾチアゾール-3-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
  • 3-(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}-1,3-ベンゾチアゾール-3-イウム
  • 3-(carboxymethyl)-2-{[(1Z)-3-[4-(dioctylamino)phenyl]-2-oxido-4-oxocyclobut-2-en-1-ylidene]methyl}-1,3-benzothiazol-3-ium
Other name (1)：
  • 2-[4-(Dioctylamino)phenyl]-4-[[[3-(carboxymethyl)benzothiazole-3-ium]-2-yl]methylene]-3-oxo-1-cyclobutene-1-olanion
Thsaurus map：
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