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Substance Name: Direct Yellow 62
RN: 6409-90-1
InChIKey: HKKQMEYCRGZCQZ-SEPHDYHBSA-L

Molecular Formula

  • C35-H29-N5-O9-S2.2Na

Molecular Weight

  • 771.736
 
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Names and Synonyms

Results Name

  • Direct Yellow 62

Synonyms

  • Direct Yellow 62
  • EINECS 229-091-7
  • NSC 326209

Systematic Name

  • Disodium 5-(4-aminobenzamido)-2-(2-(4-(4-(4-aminobenzamido)benzamido)-2-sulphonatophenyl)vinyl)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 6409-90-1

System Generated Number

  • 0006409901

Molecular Formulas

Molecular Formula

  • C35-H29-N5-O9-S2.2Na

Molecular Formula Fragments

  • C35-H29-N5-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H29N5O9S2.2Na/c36-26-10-5-23(6-11-26)33(41)38-28-14-8-24(9-15-28)34(42)40-30-16-7-22(32(20-30)51(47,48)49)2-1-21-3-4-25(19-31(21)50(44,45)46)35(43)39-29-17-12-27(37)13-18-29;;/h1-20H,36-37H2,(H,38,41)(H,39,43)(H,40,42)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2/b2-1+;;

InChIKey

HKKQMEYCRGZCQZ-SEPHDYHBSA-L

Smiles

S(c1cc(C(Nc2ccc(cc2)N)=O)ccc1\C=C\c1c(S([O-])(=O)=O)cc(NC(c2ccc(NC(c3ccc(cc3)N)=O)cc2)=O)cc1)([O-])(=O)=O.[Na+].[Na+]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.49E+00 (none)   EXP
Water Solubility 76.2 mg/L 25 EST
Vapor Pressure 8.64E-37 mm Hg 25 EST
Atmospheric OH Rate Constant 2.25E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.