Chem
J-GLOBAL ID：200907001904566302   Nikkaji number：J550.664F

4,4′-[(2,4,6-Trimethyl-5-sulfo-1,3-phenylene)diimino]bis(1-amino-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid)

4,4′-[(2,4,6-トリメチル-5-スルホ-1,3-フェニレン)ジイミノ]ビス(1-アミノ-9,10-ジヒドロ-9,10-ジオキソ-2-アントラセンスルホン酸)
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： C37H28N4O13S3
Molecular formula furigana： C37-H28-N4-O13-S3
Molecular weight： 832.830
InChI： InChI=1S/C37H28N4O13S3/c1-14-31(40-21-12-23(55(46,47)48)29(38)27-25(21)33(42)17-8-4-6-10-19(17)35(27)44)15(2)37(57(52,53)54)16(3)32(14)41-22-13-24(56(49,50)51)30(39)28-26(22)34(43)18-9-5-7-11-20(18)36(28)45/h4-13,40-41H,38-39H2,1-3H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)
InChI key： GYTKFXGAVRNAJH-UHFFFAOYSA-N
SMILES： Cc1c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c(C)c(c(C)c1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)O)S(=O)(=O)O
Systematic name  (3)：
  • 4,4′-[(2,4,6-トリメチル-5-スルホ-1,3-フェニレン)ジイミノ]ビス(1-アミノ-9,10-ジヒドロ-9,10-ジオキソ-2-アントラセンスルホン酸)
  • 1-アミノ-4-({3-[(4-アミノ-9,10-ジオキソ-3-スルホ-9,10-ジヒドロアントラセン-1-イル)アミノ]-2,4,6-トリメチル-5-スルホフェニル}アミノ)-9,10-ジオキソ-9,10-ジヒドロアントラセン-2-スルホン酸
  • 1-amino-4-({3-[(4-amino-9,10-dioxo-3-sulfo-9,10-dihydroanthracen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Other name (1)：
  • 4,4′-[(2,4,6-Trimethyl-5-sulfo-1,3-phenylene)diimino]bis(1-amino-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid)
CAS registry number： 87224-21-3
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