Chem
J-GLOBAL ID:200907058963319370
Nikkaji number:J1.892.100F
Levafix brilliant red E-4BA
レバフィックスブリリアントレッドE-4BA
Download MOL file
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:
C29 H22 ClN7 O11 S3
Molecular formula furigana:
C29-H22-CL-N7-O11-S3
Molecular weight:
776.160
InChI:
InChI=1S/C29H22ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,29,32,34H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,35,36,37)
InChI key:
AKNCRKIUQODFJV-UHFFFAOYSA-N
SMILES:
Nc1c(cc(Nc2ccc(NC3N=C(Cl)NC(=N3)Nc3cccc(c3)S(=O)(=O)O)c(c2)S(=O)(=O)O)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)O
Systematic name (3):
1-アミノ-4-[3-スルホ-4-[[4-(3-スルホアニリノ)-6-クロロ-2,5-ジヒドロ-1,3,5-トリアジン-2-イル]アミノ]アニリノ]-9,10-ジオキソアントラセン-2-スルホン酸
1-アミノ-4-{[4-({4-クロロ-6-[(3-スルホフェニル)アミノ]-2,5-ジヒドロ-1,3,5-トリアジン-2-イル}アミノ)-3-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-{[4-({4-chloro-6-[(3-sulfophenyl)amino]-2,5-dihydro-1,3,5-triazin-2-yl}amino)-3-sulfophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Other name (3):
1-Amino-4-[3-sulfo-4-[[4-(3-sulfoanilino)-6-chloro-2,5-dihydro-1,3,5-triazine-2-yl]amino]anilino]-9,10-dioxoanthracene-2-sulfonic acid
レバフィックスブリリアントレッドE-4BA
Levafix brilliant red E-4BA
Thsaurus map:
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