Chem
J-GLOBAL ID：201807008853375560   Nikkaji number：J3.730.051I

2-[(methylimino)methyl]-4-[2-(pyren-1-yl)ethynyl]benzenesulfinic acid

2-[(メチルイミノ)メチル]-4-[2-(ピレン-1-イル)エチニル]ベンゼンスルフィン酸
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： C26H17NO2S
Molecular formula furigana： C26-H17-N-O2-S
Molecular weight： 407.490
InChI： InChI=1S/C26H17NO2S/c1-27-16-22-15-17(6-14-24(22)30(28)29)5-7-18-8-9-21-11-10-19-3-2-4-20-12-13-23(18)26(21)25(19)20/h2-4,6,8-16H,1H3,(H,28,29)
InChI key： BNIUISPWDKSOKY-UHFFFAOYSA-N
SMILES： c1(c(cc(cc1)C#Cc1ccc2ccc3cccc4ccc1c2c34)C=NC)S(=O)O
Systematic name  (2)：
  • 2-[(メチルイミノ)メチル]-4-[2-(ピレン-1-イル)エチニル]ベンゼン-1-スルフィン酸
  • 2-[(methylimino)methyl]-4-[2-(pyren-1-yl)ethynyl]benzene-1-sulfinic acid
Other name (2)：
  • 2-[(メチルイミノ)メチル]-4-[2-(ピレン-1-イル)エチニル]ベンゼンスルフィン酸
  • 2-[(methylimino)methyl]-4-[2-(pyren-1-yl)ethynyl]benzenesulfinic acid
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