1H-Benzimidazolium, 5-(ethoxycarbonyl)-2-[3-[5-(ethoxycarbonyl)-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(3-sulfopropyl)-, inner salt

CAS Registry Number®

32634-40-5
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CAS Name

1H-Benzimidazolium, 5-(ethoxycarbonyl)-2-[3-[5-(ethoxycarbonyl)-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(3-sulfopropyl)-, inner salt

Molecular Formula

C32H40N4O7S

Cite this Page

1H-Benzimidazolium, 5-(ethoxycarbonyl)-2-[3-[5-(ethoxycarbonyl)-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(3-sulfopropyl)-, inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=32634-40-5 (retrieved 2024-08-29) (CAS RN: 32634-40-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H40N4O7S/c1-6-33-25-17-15-23(31(37)42-9-4)21-27(25)35(8-3)29(33)13-11-14-30-34(7-2)26-18-16-24(32(38)43-10-5)22-28(26)36(30)19-12-20-44(39,40)41/h11,13-18,21-22H,6-10,12,19-20H2,1-5H3

InChIKey

InChIKey=KQWVLCVNSSNCQU-UHFFFAOYSA-N

SMILES

C(CCS(=O)(=O)[O-])[N+]=1C=2C(N(CC)C1C=CC=C3N(CC)C=4C(N3CC)=CC=C(C(OCC)=O)C4)=CC=C(C(OCC)=O)C2

Canonical SMILES

O=C(OCC)C1=CC=C2C(=C1)N(C(=CC=CC=3N(C=4C=CC(=CC4[N+]3CCCS(=O)(=O)[O-])C(=O)OCC)CC)N2CC)CC

Other Names for this Substance

  • 1H-Benzimidazolium, 5-(ethoxycarbonyl)-2-[3-[5-(ethoxycarbonyl)-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(3-sulfopropyl)-, inner salt
  • 1H-Benzimidazolium, 5-(ethoxycarbonyl)-3-[3-[5-(ethoxycarbonyl)-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propenyl]-1-ethyl-3-(3-sulfopropyl)-, inner salt
  • Benzimidazolium, 5-carboxy-2-[3-(5-carboxy-1,3-diethyl-2-benzimidazolinylidene)propenyl]-1-ethyl-3-(3-sulfopropyl)-, hydroxide, inner salt, 2,5-diethyl ester
  • 1,1′,3′-Triethyl-3-γ-sulfopropyl-5,5′-diethoxyimidacarbocyanine betaine

Deleted or Replaced CAS Registry Numbers

81344-07-2