Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: EINECS 288-427-0
RN: 85721-16-0
InChIKey: WWUSOMBAVHIVLB-UHFFFAOYSA-L

Molecular Formula

  • C41-H45-N3-O6-S2.1/2Ba

Molecular Weight

  • 1615.2212
 
* 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

Results Name

  • EINECS 288-427-0

Synonym

  • EINECS 288-427-0

Systematic Name

  • Dihydrogen bis((4-((4-(diethylamino)phenyl)(4-(ethyl(3-sulphonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)(3-sulphonatobenzyl)ammonium), barium salt

Registry Numbers

CAS Registry Number

  • 85721-16-0

System Generated Number

  • 0085721160

Molecular Formulas

Molecular Formula

  • C41-H45-N3-O6-S2.1/2Ba

Molecular Formula Fragments

  • Ba
  • C41-H45-N3-O6-S2
  • COMPONENT

Structure Descriptors

InChI

1S/2C41H45N3O6S2.Ba/c2*1-5-42(6-2)36-21-15-33(16-22-36)41(34-17-23-37(24-18-34)43(7-3)29-31-11-9-13-39(27-31)51(45,46)47)35-19-25-38(26-20-35)44(8-4)30-32-12-10-14-40(28-32)52(48,49)50;/h2*9-28H,5-8,29-30H2,1-4H3,(H-,45,46,47,48,49,50);/q;;+2/p-2

InChIKey

WWUSOMBAVHIVLB-UHFFFAOYSA-L

Smiles

[Ba+2].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)Cc3cccc(c3)S(=O)(=O)[O-])C=C2)c4ccc(cc4)N(CC)Cc5cccc(c5)S(=O)(=O)[O-].CCN(CC)c6ccc(cc6)C(=C7C=CC(=[N+](CC)Cc8cccc(c8)S(=O)(=O)[O-])C=C7)c9ccc(cc9)N(CC)Cc%10cccc(c%10)S(=O)(=O)[O-]