Chem
J-GLOBAL ID:200907008008935905
Nikkaji number:J708.110C
Direct Green 98
ダイレクトグリーン98
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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:
C46 H26 N10 [N+]2 Na6 O22 [O-]2 S6
Molecular formula furigana:
C46-H26-N12-NA6-O24-S6
Molecular weight:
1461.070
InChI:
InChI=1S/C46H32N12O24S6.6Na/c47-39-37-23(15-33(85(71,72)73)41(39)53-49-25-7-11-29(12-8-25)57(61)62)17-35(87(77,78)79)43(45(37)59)55-51-27-5-3-21(31(19-27)83(65,66)67)1-2-22-4-6-28(20-32(22)84(68,69)70)52-56-44-36(88(80,81)82)18-24-16-34(86(74,75)76)42(40(48)38(24)46(44)60)54-50-26-9-13-30(14-10-26)58(63)64;;;;;;/h1-20,59-60H,47-48H2,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82);;;;;;/q;6*+1/p-6
InChI key:
DYMKKUYWTUSHQS-UHFFFAOYSA-H
SMILES:
Nc1c(N=Nc2ccc(cc2)[N+](=O)[O-])c(cc2cc(c(N=Nc3ccc(C=Cc4ccc(cc4S(=O)(=O)O[Na])N=Nc4c(O)c5c(N)c(N=Nc6ccc(cc6)[N+](=O)[O-])c(cc5cc4S(=O)(=O)O[Na])S(=O)(=O)O[Na])c(c3)S(=O)(=O)O[Na])c(O)c12)S(=O)(=O)O[Na])S(=O)(=O)O[Na]
Systematic name (3):
2,2′-[エテン-1,2-ジイルビス[3-(ソジオスルホ)-4,1-フェニレンアゾ]]ビス[8-アミノ-1-ヒドロキシ-7-[(4-ニトロフェニル)アゾ]ナフタレン-3,6-ビス(スルホン酸ナトリウム)]
2,7-二ナトリウム 4-アミノ-6-[2-(4-{2-[4-(2-{8-アミノ-1-ヒドロキシ-7-[2-(4-ニトロフェニル)ジアゼン-1-イル]-3,6-ビス[(ソジオオキシ)スルホニル]ナフタレン-2-イル}ジアゼン-1-イル)-2-[(ソジオオキシ)スルホニル]フェニル]エテニル}-3-[(ソジオオキシ)スルホニル]フェニル)ジアゼン-1-イル]-5-ヒドロキシ-3-[2-(4-ニトロフェニル)ジアゼン-1-イル]ナフタレン-2,7-ジスルホナート
2,7-disodium 4-amino-6-[2-(4-{2-[4-(2-{8-amino-1-hydroxy-7-[2-(4-nitrophenyl)diazen-1-yl]-3,6-bis[(sodiooxy)sulfonyl]naphthalen-2-yl}diazen-1-yl)-2-[(sodiooxy)sulfonyl]phenyl]ethenyl}-3-[(sodiooxy)sulfonyl]phenyl)diazen-1-yl]-5-hydroxy-3-[2-(4-nitrophenyl)diazen-1-yl]naphthalene-2,7-disulfonate
Other name (3):
ダイレクトグリーン98
Direct Green 98
2,2′-[Ethene-1,2-diylbis[3-(sodiosulfo)-4,1-phenyleneazo]]bis[8-amino-1-hydroxy-7-[(4-nitrophenyl)azo]naphthalene-3,6-bis(sulfonic acid sodium)] salt
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