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Substance Name: 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid
RN: 68252-85-7
InChIKey: YCNUFQQLPRQJHX-ULDVOPSXSA-N

Molecular Formula

  • C29-H21-Br2-N5-O13-S3

Molecular Weight

  • 903.5129
 
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Names and Synonyms

Synonym

  • EINECS 269-485-6

Systematic Name

  • 5-((4-((2-Bromo-1-oxoallyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxoallyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid

Registry Numbers

CAS Registry Number

  • 68252-85-7

System Generated Number

  • 0068252857

Structure Descriptors

InChI

1S/C29H21Br2N5O13S3/c1-13(30)27(38)32-17-5-3-15(4-6-17)29(40)34-21-12-19(50(41,42)43)9-16-10-23(52(47,48)49)25(26(37)24(16)21)36-35-20-11-18(33-28(39)14(2)31)7-8-22(20)51(44,45)46/h3-12,37H,1-2H2,(H,32,38)(H,33,39)(H,34,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)/b36-35+

InChIKey

YCNUFQQLPRQJHX-ULDVOPSXSA-N

Smiles

C=C(C(=O)Nc1ccc(cc1)C(=O)Nc2cc(cc3c2c(c(c(c3)S(=O)(=O)O)/N=N/c4cc(ccc4S(=O)(=O)O)NC(=O)C(=C)Br)O)S(=O)(=O)O)Br