Chem
J-GLOBAL ID：200907057666490047   Nikkaji number：J657.586B

NF-023

NF-023
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： C35H20N4Na6O21S6
Molecular formula furigana： C35-H20-N4-NA6-O21-S6
Molecular weight： 1162.850
InChI： InChI=1S/C35H26N4O21S6.6Na/c40-33(38-25-7-9-27(63(49,50)51)23-13-21(61(43,44)45)15-29(31(23)25)65(55,56)57)17-3-1-5-19(11-17)36-35(42)37-20-6-2-4-18(12-20)34(41)39-26-8-10-28(64(52,53)54)24-14-22(62(46,47)48)16-30(32(24)26)66(58,59)60;;;;;;/h1-16H,(H,38,40)(H,39,41)(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;;;/q;6*+1/p-6
InChI key： FMQURVHYTBGYSQ-UHFFFAOYSA-H
SMILES： [Na]OS(=O)(=O)c1cc(c2c(NC(=O)c3cccc(NC(=O)Nc4cccc(c4)C(=O)Nc4ccc(c5cc(cc(c45)S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na])c3)ccc(c2c1)S(=O)(=O)O[Na])S(=O)(=O)O[Na]
Systematic name  (3)：
  • 8,8′-[カルボニルビス(イミノ-3,1-フェニレン)ビス(カルボニルイミノ)]ビス(1,3,5-ナフタレントリスルホン酸)ヘキサナトリウム
  • 1,3,5-三ナトリウム 8-[3-({[3-({4,6,8-トリス[(ソジオオキシ)スルホニル]ナフタレン-1-イル}カルバモイル)フェニル]カルバモイル}アミノ)ベンズアミド]ナフタレン-1,3,5-トリスルホナート
  • 1,3,5-trisodium 8-[3-({[3-({4,6,8-tris[(sodiooxy)sulfonyl]naphthalen-1-yl}carbamoyl)phenyl]carbamoyl}amino)benzamido]naphthalene-1,3,5-trisulfonate
Other name (2)：
  • NF-023
  • 8,8′-[Carbonylbis(imino-3,1-phenylene)bis(carbonylimino)]bis(1,3,5-naphthalenetrisulfonic acid)hexasodium salt
CAS registry number： 104869-31-0
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