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Substance Name: Acid Blue 175
RN: 69657-95-0
InChIKey: RIGCPQHRRMHRII-UHFFFAOYSA-L

Molecular Formula

  • C40-H42-N2-O9-S2.2Na

Molecular Weight

  • 802.873
 
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Names and Synonyms

Results Name

  • Acid Blue 175

Synonym

  • Acid Blue 175

Systematic Name

  • Benzenesulfonic acid, 3,3'-((9,10-dihydro-5-hydroxy-9,10-dioxo-1,4-anthracenediyl)bis(imino-3,1-cyclohexanediylmethylene))bis-, disodium salt

Registry Numbers

CAS Registry Number

  • 69657-95-0

System Generated Number

  • 0069657950

Molecular Formulas

Molecular Formula

  • C40-H42-N2-O9-S2.2Na

Molecular Formula Fragments

  • C40-H42-N2-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C40H42N2O9S2.2Na/c43-35-15-5-14-32-36(35)40(45)38-34(42-29-11-2-7-25(21-29)19-27-9-4-13-31(23-27)53(49,50)51)17-16-33(37(38)39(32)44)41-28-10-1-6-24(20-28)18-26-8-3-12-30(22-26)52(46,47)48;;/h3-5,8-9,12-17,22-25,28-29,41-43H,1-2,6-7,10-11,18-21H2,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2

InChIKey

RIGCPQHRRMHRII-UHFFFAOYSA-L

Smiles

[Na+].[Na+].c1(ccc(c2C(c3c(cccc3C(c12)=O)O)=O)N[C@@H]1C[C@@H](CCC1)Cc1cc(ccc1)S(=O)(=O)[O-])N[C@@H]1C[C@@H](CCC1)Cc1cc(ccc1)S(=O)(=O)[O-]