Chem
J-GLOBAL ID：200907076650395014   Nikkaji number：J2.179.594A

2-[[[3-(Carboxymethyl)benzoselenazole]-2(3H)-ylidene]methyl]-4-[[[3-(carboxymethyl)benzoselenazole-3-ium]-2-yl]methylene]-3-oxo-1-cyclobutene-1-olanion

2-[[[3-(カルボキシメチル)ベンゾセレナゾール]-2(3H)-イリデン]メチル]-4-[[[3-(カルボキシメチル)ベンゾセレナゾール-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： C24H16N[N+]O5[O-]Se2
Molecular formula furigana： C24-H16-N2-O6-SE2
Molecular weight： 586.342
InChI： InChI=1S/C24H16N2O6Se2/c27-21(28)11-25-15-5-1-3-7-17(15)33-19(25)9-13-23(31)14(24(13)32)10-20-26(12-22(29)30)16-6-2-4-8-18(16)34-20/h1-10H,11-12H2,(H2-,27,28,29,30,31,32)
InChI key： LCJHCLJXUWDNBK-UHFFFAOYSA-N
SMILES： OC(=O)Cn1c(=CC2=C([O-])/C(=C\c3[se]c4ccccc4[n+]3CC(=O)O)/C2=O)[se]c2ccccc12
Systematic name  (3)：
  • 2-[[[3-(カルボキシメチル)ベンゾセレナゾール]-2(3H)-イリデン]メチル]-4-[[[3-(カルボキシメチル)ベンゾセレナゾール-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-{[(1E)-3-{[3-(カルボキシメチル)-2,3-ジヒドロ-1,3-ベンゾセレナゾール-2-イリデン]メチル}-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-ベンゾセレナゾール-3-イウム
  • 3-(carboxymethyl)-2-{[(1E)-3-{[3-(carboxymethyl)-2,3-dihydro-1,3-benzoselenazol-2-ylidene]methyl}-2-oxido-4-oxocyclobut-2-en-1-ylidene]methyl}-1,3-benzoselenazol-3-ium
Other name (1)：
  • 2-[[[3-(Carboxymethyl)benzoselenazole]-2(3H)-ylidene]methyl]-4-[[[3-(carboxymethyl)benzoselenazole-3-ium]-2-yl]methylene]-3-oxo-1-cyclobutene-1-olanion
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