Thiazolium, 2-[[4,5-diphenyl-3-(4-sulfobutyl)-2(3H)-thiazolylidene]methyl]-5-[2-(1-ethyl-4(1H)-quinolinylidene)ethylidene]-4,5-dihydro-4-oxo-3-(2-propen-1-yl)-, inner salt
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![Thiazolium, 2-[[4,5-diphenyl-3-(4-sulfobutyl)-2(3H)-thiazolylidene]methyl]-5-[2-(1-ethyl-4(1H)-quinolinylidene)ethylidene]-4,5-dihydro-4-oxo-3-(2-propen-1-yl)-, inner salt structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e38b1a07cbe844b0824c7018e89a8ff7.png "Thiazolium, 2-[[4,5-diphenyl-3-(4-sulfobutyl)-2(3H)-thiazolylidene]methyl]-5-[2-(1-ethyl-4(1H)-quinolinylidene)ethylidene]-4,5-dihydro-4-oxo-3-(2-propen-1-yl)-, inner salt")
Thiazolium, 2-[[4,5-diphenyl-3-(4-sulfobutyl)-2(3H)-thiazolylidene]methyl]-5-[2-(1-ethyl-4(1H)-quinolinylidene)ethylidene]-4,5-dihydro-4-oxo-3-(2-propen-1-yl)-, inner salt
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CAS No:
93857-85-3
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Formula:
C39H37N3O4S3
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Chemical Name:
Thiazolium, 2-[[4,5-diphenyl-3-(4-sulfobutyl)-2(3H)-thiazolylidene]methyl]-5-[2-(1-ethyl-4(1H)-quinolinylidene)ethylidene]-4,5-dihydro-4-oxo-3-(2-propen-1-yl)-, inner salt
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Synonyms:
Thiazolium,2-[[4,5-diphenyl-3-(4-sulfobutyl)-2(3H)-thiazolylidene]methyl]-5-[2-(1-ethyl-4(1H)-quinolinylidene)ethylidene]-4,5-dihydro-4-oxo-3-(2-propen-1-yl)-,inner salt;Thiazolium,2-[[4,5-diphenyl-3-(4-sulfobutyl)-2(3H)-thiazolylidene]methyl]-5-[(1-ethyl-4(1H)-quinolinylidene)ethylidene]-4,5-dihydro-4-oxo-3-(2-propenyl)-,hydroxide,inner salt;Thiazolium,2-[[4,5-diphenyl-3-(4-sulfobutyl)-2(3H)-thiazolylidene]methyl]-5-[(1-ethyl-4(1H)-quinolinylidene)ethylidene]-4,5-dihydro-4-oxo-3-(2-propenyl)-,inner salt
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CAS No:
Thiazolium, 2-[[4,5-diphenyl-3-(4-sulfobutyl)-2(3H)-thiazolylidene]methyl]-5-[2-(1-ethyl-4(1H)-quinolinylidene)ethylidene]-4,5-dihydro-4-oxo-3-(2-propen-1-yl)-, inner salt Basic Attributes
707.92378
708.202445
299-218-9
Computed Properties
Molecular Weight:708.9
XLogP3:7.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:708.20244522
Monoisotopic Mass:708.20244522
Topological Polar Surface Area:148
Heavy Atom Count:49
Formal Charge:1
Complexity:1380
Defined Bond Stereocenter Count:2
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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