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Substance Name: 4-((6'-(Diethylamino)-3'-hydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-2'-yl)azo)-3-hydroxynaphthalene-1-sulphonic acid, sodium salt
RN: 94231-75-1
InChIKey: SGPUSRFUFNGXCE-KPYQYLATSA-M

Molecular Formula

  • C34-H27-N3-O8-S.x-Na

Molecular Weight

  • 659.6484
 
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Names and Synonyms

Synonym

  • EINECS 303-895-9

Systematic Name

  • 4-((6'-(Diethylamino)-3'-hydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-2'-yl)azo)-3-hydroxynaphthalene-1-sulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 94231-75-1

System Generated Number

  • 0094231751

Molecular Formulas

Molecular Formula

  • C34-H27-N3-O8-S.x-Na

Molecular Formula Fragments

  • C34-H27-N3-O8-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H27N3O8S.Na/c1-3-37(4-2)19-13-14-24-29(15-19)44-30-17-27(38)26(16-25(30)34(24)23-12-8-7-11-22(23)33(40)45-34)35-36-32-21-10-6-5-9-20(21)31(18-28(32)39)46(41,42)43;/h5-18,38-39H,3-4H2,1-2H3,(H,41,42,43);/q;+1/p-1/b36-35+;

InChIKey

SGPUSRFUFNGXCE-KPYQYLATSA-M

Smiles

C12(c3c(Oc4c1ccc(c4)N(CC)CC)cc(c(c3)/N=N/c1c3c(c(S(=O)(=O)[O-])cc1O)cccc3)O)OC(=O)c1c2cccc1.[Na+]