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Substance Name: 2,2'-((4,4'-Bis((1-hydroxy-6-((4-(((2-methoxyethoxy)carbonyl)amino)phenyl)amino)-3-sulpho-2-naphthyl)azo)(1,1'-biphenyl)-3,3'-diyl)bis(oxy))bis(acetic) acid
RN: 94021-47-3
InChIKey: YCNADHYKWLHUMH-DOTBRBQPSA-N

Molecular Formula

  • C56-H50-N8-O20-S2

Molecular Weight

  • 1219.179
 
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Names and Synonyms

Synonym

  • EINECS 301-441-4

Systematic Name

  • 2,2'-((4,4'-Bis((1-hydroxy-6-((4-(((2-methoxyethoxy)carbonyl)amino)phenyl)amino)-3-sulpho-2-naphthyl)azo)(1,1'-biphenyl)-3,3'-diyl)bis(oxy))bis(acetic) acid

Registry Numbers

CAS Registry Number

  • 94021-47-3

System Generated Number

  • 0094021473

Structure Descriptors

InChI

1S/C56H50N8O20S2/c1-79-19-21-81-55(71)59-37-9-5-35(6-10-37)57-39-13-15-41-33(23-39)27-47(85(73,74)75)51(53(41)69)63-61-43-17-3-31(25-45(43)83-29-49(65)66)32-4-18-44(46(26-32)84-30-50(67)68)62-64-52-48(86(76,77)78)28-34-24-40(14-16-42(34)54(52)70)58-36-7-11-38(12-8-36)60-56(72)82-22-20-80-2/h3-18,23-28,57-58,69-70H,19-22,29-30H2,1-2H3,(H,59,71)(H,60,72)(H,65,66)(H,67,68)(H,73,74,75)(H,76,77,78)/b63-61+,64-62+

InChIKey

YCNADHYKWLHUMH-DOTBRBQPSA-N

Smiles

COCCOC(=O)Nc1ccc(cc1)Nc2cc3c(c(c(c(c3)S(=O)(=O)O)/N=N/c4c(cc(cc4)c5cc(c(cc5)/N=N/c6c(c7c(cc6S(=O)(=O)O)cc(cc7)Nc8ccc(cc8)NC(=O)OCCOC)O)OCC(=O)O)OCC(=O)O)O)cc2