Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-5-phenyl-, inner salt
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![Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-5-phenyl-, inner salt structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/39d4d4400c4d46b9a77e41adf45ade74.png "Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-5-phenyl-, inner salt")
Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-5-phenyl-, inner salt
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CAS No:
50671-46-0
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Formula:
C31H31Cl2N3O4S
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Chemical Name:
Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-5-phenyl-, inner salt
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Synonyms:
Benzoxazolium,2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-5-phenyl-,inner salt;Benzoxazolium,2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-5-phenyl-,hydroxide,inner salt;Benzoxazolium,2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-5-phenyl-,inner salt;114561-86-3
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CAS No:
Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-5-phenyl-, inner salt Basic Attributes
612.56654
611.141233
256-706-6
Computed Properties
Molecular Weight:612.6
XLogP3:7.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:611.1412330
Monoisotopic Mass:611.1412330
Topological Polar Surface Area:89.1
Heavy Atom Count:41
Complexity:1020
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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