Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-methoxy-1,3,5-triazin-2-yl)amino)-, compd. with 2,2'-iminobis(ethanol) and 2,2',2''-(nitrilotris(2,1-ethanediyloxy))tris(ethanol)
RN: 85187-65-1
InChIKey: IIUWVPDAPTYODX-CZEFNJPISA-N

Molecular Formula

  • C30-H38-N10-O12-S2.x-C12-H27-N-O6.x-C4-H11-N-O2

Molecular Weight

  • 1181.3024
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 286-153-6

Systematic Name

  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-methoxy-1,3,5-triazin-2-yl)amino)-, compd. with 2,2'-iminobis(ethanol) and 2,2',2''-(nitrilotris(2,1-ethanediyloxy))tris(ethanol)

Registry Numbers

CAS Registry Number

  • 85187-65-1

System Generated Number

  • 0085187651

Molecular Formulas

Molecular Formula

  • C30-H38-N10-O12-S2.x-C12-H27-N-O6.x-C4-H11-N-O2

Molecular Formula Fragments

  • C12-H27-N-O6
  • C30-H38-N10-O12-S2
  • C4-H11-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C30H38N10O12S2.C12H27NO6.C4H11NO2/c1-51-29-35-25(33-27(37-29)39(9-13-41)10-14-42)31-21-7-5-19(23(17-21)53(45,46)47)3-4-20-6-8-22(18-24(20)54(48,49)50)32-26-34-28(38-30(36-26)52-2)40(11-15-43)12-16-44;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;6-3-1-5-2-4-7/h3-8,17-18,41-44H,9-16H2,1-2H3,(H,45,46,47)(H,48,49,50)(H,31,33,35,37)(H,32,34,36,38);14-16H,1-12H2;5-7H,1-4H2/b4-3+;;

InChIKey

IIUWVPDAPTYODX-CZEFNJPISA-N

Smiles

COc1nc(Nc2ccc(\C=C\c3ccc(Nc4nc(OC)nc(n4)N(CCO)CCO)cc3S(=O)(=O)O)c(c2)S(=O)(=O)O)nc(n1)N(CCO)CCO.OCCNCCO.OCCOCCN(CCOCCO)CCOCCO