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Substance Name: 7-((4-((4-((5-((4-Amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino)-2-sulphophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,3,5-trisulphonic acid
RN: 94159-04-3
InChIKey: PXJCQWAOSXBGAV-DSIMXMMZSA-N

Molecular Formula

  • C39-H26-Cl-N9-O17-S5

Molecular Weight

  • 1088.4634
 
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Names and Synonyms

Synonym

  • EINECS 303-179-6

Systematic Name

  • 7-((4-((4-((5-((4-Amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino)-2-sulphophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,3,5-trisulphonic acid

Registry Numbers

CAS Registry Number

  • 94159-04-3

System Generated Number

  • 0094159043

Structure Descriptors

InChI

1S/C39H26ClN9O17S5/c40-37-45-38(43-17-5-7-18(8-6-17)48-49-20-11-24-25(29(13-20)69(58,59)60)14-21(67(52,53)54)15-30(24)70(61,62)63)47-39(46-37)44-26-12-19(9-10-28(26)68(55,56)57)42-27-16-31(71(64,65)66)34(41)33-32(27)35(50)22-3-1-2-4-23(22)36(33)51/h1-16,42H,41H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,43,44,45,46,47)/b49-48+

InChIKey

PXJCQWAOSXBGAV-DSIMXMMZSA-N

Smiles

c12c(C(=O)c3c(C1=O)cccc3)c(cc(S(=O)(=O)O)c2N)Nc1cc(c(S(=O)(=O)O)cc1)Nc1nc(nc(n1)Cl)Nc1ccc(/N=N/c2cc(S(=O)(=O)O)c3c(c(S(=O)(=O)O)cc(S(=O)(=O)O)c3)c2)cc1