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Substance Name: Benzoic acid, 3,3'-((1,8-dihydroxy-4-sulfo-2,7-naphthalenediyl)bis(azo(3-sulfo-4,1-phenylene)azo))bis(6-amino-
RN: 116962-67-5
InChIKey: LUYBLOQGHLBHLS-UZBFFBFCSA-N

Molecular Formula

  • C36-H26-N10-O15-S3

Molecular Weight

  • 934.854
 
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Names and Synonyms

  • Benzoic acid, 3,3'-((1,8-dihydroxy-4-sulfo-2,7-naphthalenediyl)bis(azo(3-sulfo-4,1-phenylene)azo))bis(6-amino-

Registry Numbers

CAS Registry Number

  • 116962-67-5

System Generated Number

  • 0116962675

Structure Descriptors

InChI

1S/C36H26N10O15S3/c37-23-6-1-16(11-21(23)35(49)50)39-41-18-3-8-25(30(13-18)63(56,57)58)43-45-27-10-5-20-29(62(53,54)55)15-28(34(48)32(20)33(27)47)46-44-26-9-4-19(14-31(26)64(59,60)61)42-40-17-2-7-24(38)22(12-17)36(51)52/h1-15,47-48H,37-38H2,(H,49,50)(H,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)/b41-39+,42-40+,45-43+,46-44+

InChIKey

LUYBLOQGHLBHLS-UZBFFBFCSA-N

Smiles

c1(c(cc(c2ccc(c(c12)O)\N=N\c1c(cc(cc1)\N=N\c1cc(C(=O)O)c(cc1)N)S(=O)(=O)O)S(=O)(=O)O)\N=N\c1c(cc(cc1)\N=N\c1cc(C(=O)O)c(cc1)N)S(=O)(=O)O)O