Cas no 20182-55-2 (Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-,disodium salt (9CI))

Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-,disodium salt (9CI) structure
20182-55-2 structure
Product Name:Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-,disodium salt (9CI)
CAS No:20182-55-2
MF:C28H34N12Na2O10S2
MW:808.753503322601
CID:259086
PubChem ID:44152654
Update Time:2025-04-19

Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-,disodium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-,disodium salt (9CI)
    • Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-,disodium sa
    • disodium,5-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
    • Disodium 4,4'-bis((4-amino-6-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate
    • disodium 5-[[4-amino-6-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-amino-6-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
    • BENZENESULFONIC ACID, 2,2'-(1,2-ETHENEDIYL)BIS(5-((4-AMINO-6-(BIS(2-HYDROXYETHYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-, DISODIUM SALT
    • Disodium 4,4'-bis[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
    • Q27256597
    • NS00051474
    • 20182-55-2
    • EINECS 243-567-1
    • Fluorescent brightener 117
    • C.I. FLUORESCENT BRIGHTENER 117
    • BLANKOPHOR BPN
    • CI FLUORESCENT BRIGHTENER 117
    • UNII-36XZ80F42Y
    • 36XZ80F42Y
    • 2,2'-STILBENEDISULFONIC ACID, 4,4'-BIS((4-AMINO-6-(BIS(2-HYDROXYETHYL)AMINO)-S-TRIAZIN-2-YL)AMINO)-, DISODIUM SALT
    • Inchi： 1S/C28H36N12O10S2.2Na/c29-23-33-25(37-27(35-23)39(7-11-41)8-12-42)31-19-5-3-17(21(15-19)51(45,46)47)1-2-18-4-6-20(16-22(18)52(48,49)50)32-26-34-24(30)36-28(38-26)40(9-13-43)10-14-44;;/h1-6,15-16,41-44H,7-14H2,(H,45,46,47)(H,48,49,50)(H3,29,31,33,35,37)(H3,30,32,34,36,38);;/q;2*+1/p-2/b2-1+;;
    • InChI Key： PDHPQRWCNQYKMJ-SEPHDYHBSA-L
    • SMILES： S(C1C=C(C=CC=1/C=C/C1C=CC(=CC=1S(=O)(=O)[O-])NC1=NC(N)=NC(=N1)N(CCO)CCO)NC1=NC(N)=NC(=N1)N(CCO)CCO)(=O)(=O)[O-].[Na+].[Na+]

Computed Properties

  • Exact Mass: 808.17622
  • Monoisotopic Mass: 808.176
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 22
  • Heavy Atom Count: 54
  • Rotatable Bond Count: 16
  • Complexity: 1190
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 372A^2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 355.24

Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-,disodium salt (9CI) Related Literature

20182-55-2 (Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-,disodium salt (9CI)) Related Products

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