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Substance Name: p,p'-(m-Phenylenebis(imino(6-chloro-1,3,5-triazine-2,4-diyl)imino(8-hydroxy-3,6-disulpho-1,7-naphthylene)azo))dibenzoic acid
RN: 39951-98-9
InChIKey: UJYBFEICKDWPOF-SETLJMOUSA-N

Molecular Formula

  • C46-H30-Cl2-N14-O18-S4

Molecular Weight

  • 1265.993
 
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Names and Synonyms

Synonym

  • EINECS 254-717-0

Systematic Name

  • p,p'-(m-Phenylenebis(imino(6-chloro-1,3,5-triazine-2,4-diyl)imino(8-hydroxy-3,6-disulpho-1,7-naphthylene)azo))dibenzoic acid

Registry Numbers

CAS Registry Number

  • 39951-98-9

System Generated Number

  • 0039951989

Structure Descriptors

InChI

1S/C46H30Cl2N14O18S4/c47-41-53-43(57-45(55-41)51-35-31(83(75,76)77)14-21-12-27(81(69,70)71)17-29(33(21)37(35)63)61-59-23-8-4-19(5-9-23)39(65)66)49-25-2-1-3-26(16-25)50-44-54-42(48)56-46(58-44)52-36-32(84(78,79)80)15-22-13-28(82(72,73)74)18-30(34(22)38(36)64)62-60-24-10-6-20(7-11-24)40(67)68/h1-18,63-64H,(H,65,66)(H,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,49,51,53,55,57)(H2,50,52,54,56,58)/b61-59+,62-60+

InChIKey

UJYBFEICKDWPOF-SETLJMOUSA-N

Smiles

c1(S(=O)(=O)O)c(c(c2c(/N=N/c3ccc(C(=O)O)cc3)cc(S(=O)(=O)O)cc2c1)O)Nc1nc(nc(n1)Cl)Nc1cc(Nc2nc(nc(n2)Cl)Nc2c(S(=O)(=O)O)cc3c(c2O)c(/N=N/c2ccc(C(=O)O)cc2)cc(S(=O)(=O)O)c3)ccc1