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Substance Name: EINECS 245-498-2
RN: 23216-67-3
InChIKey: IRGJPQDDBXQCAP-UHFFFAOYSA-N

Molecular Formula

  • C33-H32-N2-O6-S4.C6-H15-N

Molecular Weight

  • 782.079
 
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Names and Synonyms

Results Name

  • EINECS 245-498-2

Synonym

  • EINECS 245-498-2

Systematic Names

  • Hydrogen 1-(3-sulphonatopropyl)-2-(2-((1-(3-sulphonatopropyl)naphtho(1,2-d)thiazolin-2-ylidene)methyl)but-1-enyl)naphtho(1,2-d)thiazolium, compound with triethylamine
  • Naphtho(1,2-d)thiazolium, 1-(3-sulfopropyl)-2-(2-((1-(3-sulfopropyl)naphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-buten-1-yl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
  • Naphtho(1,2-d)thiazolium, 1-(3-sulfopropyl)-2-(2-((1-(3-sulfopropyl)naphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-butenyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)

Registry Numbers

CAS Registry Number

  • 23216-67-3

Other Registry Numbers

  • 105938-66-7
  • 138529-19-8
  • 41664-78-2
  • 55929-57-2
  • 864721-71-1
  • 94726-86-0
  • 94883-43-9
  • 95356-31-3

System Generated Number

  • 0023216673

Molecular Formulas

Molecular Formula

  • C33-H32-N2-O6-S4.C6-H15-N

Molecular Formula Fragments

  • C33-H32-N2-O6-S4
  • C6-H15-N
  • COMPONENT

Structure Descriptors

InChI

1S/C33H32N2O6S4.C6H15N/c1-2-23(21-30-34(17-7-19-44(36,37)38)32-26-11-5-3-9-24(26)13-15-28(32)42-30)22-31-35(18-8-20-45(39,40)41)33-27-12-6-4-10-25(27)14-16-29(33)43-31;1-4-7(5-2)6-3/h3-6,9-16,21-22H,2,7-8,17-20H2,1H3,(H-,36,37,38,39,40,41);4-6H2,1-3H3

InChIKey

IRGJPQDDBXQCAP-UHFFFAOYSA-N

Smiles

S(CCC[n+]1c2c(sc1\C=C(/C=C1/Sc3c(N1CCCS(=O)(O)=O)c1c(cc3)cccc1)CC)ccc1ccccc21)(=O)(=O)[O-].N(CC)(CC)CC