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Substance Name: 1H-Benz(e)indolium, 2-(2-(3-(2-(1,3-dihydro-1,1-dimethyl-3-(3-sulfopropyl)-2H-benz(e)indol-2-ylidene)ethylidene)-2-(4-(ethoxycarbonyl)-1-piperazinyl)-1-cyclopenten-1-yl)ethenyl)-1,1-dimethyl-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
RN: 54849-69-3
InChIKey: CLQSKAVTPLZPDL-UHFFFAOYSA-N

Molecular Formula

  • C50-H58-N4-O8-S2.C6-H15-N

Molecular Weight

  • 1008.35
 
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Names and Synonyms

Synonym

  • EINECS 259-375-6

Systematic Names

  • 1H-Benz(e)indolium, 2-(2-(3-((1,3-dihydro-1,1-dimethyl-3-(3-sulfopropyl)-2H-benz(e)indol-2-ylidene)ethylidene)-2-(4-(ethoxycarbonyl)-1-piperazinyl)-1-cyclopenten-1-yl)ethenyl)-1,1-dimethyl-3-(3-sulfopropyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1)
  • 1H-Benz(e)indolium, 2-(2-(3-((1,3-dihydro-1,1-dimethyl-3-(3-sulfopropyl)-2H-benz(e)indol-2-ylidene)ethylidene)-2-(4-(ethoxycarbonyl)-1-piperazinyl)-1-cyclopenten-1-yl)ethenyl)-1,1-dimethyl-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
  • 1H-Benz(e)indolium, 2-(2-(3-(2-(1,3-dihydro-1,1-dimethyl-3-(3-sulfopropyl)-2H-benz(e)indol-2-ylidene)ethylidene)-2-(4-(ethoxycarbonyl)-1-piperazinyl)-1-cyclopenten-1-yl)ethenyl)-1,1-dimethyl-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)

Registry Numbers

CAS Registry Number

  • 54849-69-3

Other Registry Numbers

  • 144414-74-4
  • 55281-21-5
  • 58984-24-0
  • 90457-18-4

System Generated Number

  • 0054849693

Molecular Formulas

Molecular Formula

  • C50-H58-N4-O8-S2.C6-H15-N

Molecular Formula Fragments

  • C50-H58-N4-O8-S2
  • C6-H15-N
  • COMPONENT

Structure Descriptors

InChI

1S/C50H58N4O8S2.C6H15N/c1-6-62-48(55)52-31-29-51(30-32-52)47-37(21-25-43-49(2,3)45-39-15-9-7-13-35(39)19-23-41(45)53(43)27-11-33-63(56,57)58)17-18-38(47)22-26-44-50(4,5)46-40-16-10-8-14-36(40)20-24-42(46)54(44)28-12-34-64(59,60)61;1-4-7(5-2)6-3/h7-10,13-16,19-26H,6,11-12,17-18,27-34H2,1-5H3,(H-,56,57,58,59,60,61);4-6H2,1-3H3

InChIKey

CLQSKAVTPLZPDL-UHFFFAOYSA-N

Smiles

[N+]1(CCCS(=O)(=O)[O-])=C(\C=C\C2=C(\C(CC2)=C\C=C2\N(c3ccc4c(c3C2(C)C)cccc4)CCCS(=O)(=O)O)N2CCN(CC2)C(=O)OCC)C(C)(C)c2c3ccccc3ccc12.N(CC)(CC)CC