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Substance Name: Naphtho(2,3-d)thiazolium, 2-(2-(2-(4-(ethoxycarbonyl)-1-piperazinyl)-3-(2-(3-(3-sulfopropyl)naphtho(2,3-d)thiazol-2(3H)-ylidene)ethylidene)-1-cyclopenten-1-yl)ethenyl)-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
RN: 35586-40-4
InChIKey: OYQGJJJZPCWYTL-UHFFFAOYSA-N

Molecular Formula

  • C44-H46-N4-O8-S4.C6-H15-N

Molecular Weight

  • 988.3229
 
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Names and Synonyms

Synonym

  • Anhydro-1,1-(4-ethoxycarbonyl-1-piperazinyl)-10,12-ethylene-3,3'-bis(3-sulfopropyl)-5,6,5',6'-dibenzothiatricarbocyanine hydroxide triethylamine salt

Systematic Names

  • Naphtho(2,3-d)thiazolium, 2-(2-(2-(4-(ethoxycarbonyl)-1-piperazinyl)-3-((3-(3-sulfopropyl)naphtho(2,3-d)thiazol-2(3H)-ylidene)ethylidene)-1-cyclopenten-1-yl)ethenyl)-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
  • Naphtho(2,3-d)thiazolium, 2-(2-(2-(4-(ethoxycarbonyl)-1-piperazinyl)-3-(2-(3-(3-sulfopropyl)naphtho(2,3-d)thiazol-2(3H)-ylidene)ethylidene)-1-cyclopenten-1-yl)ethenyl)-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)

Registry Numbers

CAS Registry Number

  • 35586-40-4

System Generated Number

  • 0035586404

Molecular Formulas

Molecular Formula

  • C44-H46-N4-O8-S4.C6-H15-N

Molecular Formula Fragments

  • C44-H46-N4-O8-S4
  • C6-H15-N
  • COMPONENT

Structure Descriptors

InChI

1S/C44H46N4O8S4.C6H15N/c1-2-56-44(49)46-23-21-45(22-24-46)43-31(15-17-41-47(19-7-25-59(50,51)52)37-27-33-9-3-5-11-35(33)29-39(37)57-41)13-14-32(43)16-18-42-48(20-8-26-60(53,54)55)38-28-34-10-4-6-12-36(34)30-40(38)58-42;1-4-7(5-2)6-3/h3-6,9-12,15-18,27-30H,2,7-8,13-14,19-26H2,1H3,(H-,50,51,52,53,54,55);4-6H2,1-3H3

InChIKey

OYQGJJJZPCWYTL-UHFFFAOYSA-N

Smiles

CCN(CC)CC.CCOC(=O)N1CCN(CC1)C\2=C(CC/C2=C\C=C/3\N(c4cc5ccccc5cc4S3)CCCS(=O)(=O)O)/C=C/c6[n+](c7cc8ccccc8cc7s6)CCCS(=O)(=O)[O-]