Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 7,7'-((2,2'-Disulpho(1,1'-biphenyl)-4,4'-diyl)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-(carbamoylamino)-4,1-phenylene)azo))bis(naphthalene-1,3,6-trisulphonic) acid
RN: 93942-66-6
InChIKey: QQLRAOUUQHSXIJ-WGMFIIQRSA-N

Molecular Formula

  • C52-H38-Cl2-N18-O26-S8

Molecular Weight

  • 1658.4062
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 300-620-4

Systematic Name

  • 7,7'-((2,2'-Disulpho(1,1'-biphenyl)-4,4'-diyl)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(2-(carbamoylamino)-4,1-phenylene)azo))bis(naphthalene-1,3,6-trisulphonic) acid

Registry Numbers

CAS Registry Number

  • 93942-66-6

System Generated Number

  • 0093942666

Structure Descriptors

InChI

1S/C52H38Cl2N18O26S8/c53-45-63-49(57-23-3-7-33(35(13-23)61-47(55)73)69-71-37-19-31-21(11-43(37)105(93,94)95)9-27(99(75,76)77)17-41(31)103(87,88)89)67-51(65-45)59-25-1-5-29(39(15-25)101(81,82)83)30-6-2-26(16-40(30)102(84,85)86)60-52-66-46(54)64-50(68-52)58-24-4-8-34(36(14-24)62-48(56)74)70-72-38-20-32-22(12-44(38)106(96,97)98)10-28(100(78,79)80)18-42(32)104(90,91)92/h1-20H,(H3,55,61,73)(H3,56,62,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H2,57,59,63,65,67)(H2,58,60,64,66,68)/b71-69+,72-70+

InChIKey

QQLRAOUUQHSXIJ-WGMFIIQRSA-N

Smiles

c1c(cc(c(c1)c2c(cc(cc2)Nc3nc(nc(n3)Nc4cc(c(cc4)/N=N/c5c(cc6c(c5)c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)Cl)S(=O)(=O)O)S(=O)(=O)O)Nc7nc(nc(n7)Nc8cc(c(cc8)/N=N/c9c(cc1c(c9)c(cc(c1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)Cl