2-(2-(2-Chloro-3-((1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene)ethylidene)-1-cyclopenten-1-yl)e]
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![2-(2-(2-Chloro-3-((1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene)ethylidene)-1-cyclopenten-1-yl)e] structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e774a58d7f9640339101c082aa952e59.png "2-(2-(2-Chloro-3-((1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene)ethylidene)-1-cyclopenten-1-yl)e]")
2-(2-(2-Chloro-3-((1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene)ethylidene)-1-cyclopenten-1-yl)e]
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CAS No:
162093-45-0
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Formula:
C45H48ClN2NaO6S2
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Chemical Name:
2-(2-(2-Chloro-3-((1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene)ethylidene)-1-cyclopenten-1-yl)e]
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Synonyms:
2-[2-[2-CHLORO-3-[[1,3-DIHYDRO-1,1-DIMETHYL-3-(4-SULFOBUTYL)-2H-BENZ[E]INDOL-2-YLIDENE]ETHYLIDENE]-1-CYCLOPENTEN-1-YL]-ETHENYL]-1,1-DIMETHYL-3-(4-SULFOBUTYL)-1H-BENZ[E]INDOLIUM, INNER SALT, SODIUM SALT;2-(2-(2-Chloro-3-((1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene)ethylidene)-1-cyclopenten-1-yl)e];2-[2-[2-chloro-3-[[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene]ethylidene]-1-cyclopenten-1-yl]-ethenyl]-1,1-dimethyl-3-(4-sulfobutyl)-1H-benz[e]indolium, inner salt, sodium sal
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CAS No:
2-(2-(2-Chloro-3-((1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene)ethylidene)-1-cyclopenten-1-yl)e] Basic Attributes
835.45
834.2540016
DTXSID80724656
Computed Properties
Molecular Weight:835.4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:834.2540016
Monoisotopic Mass:834.2540016
Topological Polar Surface Area:137
Heavy Atom Count:57
Complexity:1690
Undefined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
2-(2-(2-Chloro-3-((1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene)ethylidene)-1-cyclopenten-1-yl)e]
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