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
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 saltMolecular Formula
C32H40N4O7SCite 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 ) (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
