Benzoxazolium, 3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-5-phenyl-, 4-methylbenzenesulfonate (1:1)
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![Benzoxazolium, 3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-5-phenyl-, 4-methylbenzenesulfonate (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f227a06a0a5543f4b08a2eb5b39b917d.png "Benzoxazolium, 3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-5-phenyl-, 4-methylbenzenesulfonate (1:1)")
Benzoxazolium, 3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-5-phenyl-, 4-methylbenzenesulfonate (1:1)
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CAS No:
94158-33-5
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Formula:
C30H31N2OS.C7H7O3S
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Chemical Name:
Benzoxazolium, 3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-5-phenyl-, 4-methylbenzenesulfonate (1:1)
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Synonyms:
Benzoxazolium,3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-5-phenyl-,4-methylbenzenesulfonate (1:1);Benzoxazolium,3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-5-phenyl-,salt with 4-methylbenzenesulfonic acid (1:1)
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CAS No:
Benzoxazolium, 3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-5-phenyl-, 4-methylbenzenesulfonate (1:1) Basic Attributes
638.83862
638.2273 g/mol
303-104-7
Computed Properties
Molecular Weight:638.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:638.22730004
Monoisotopic Mass:638.22730004
Topological Polar Surface Area:110
Heavy Atom Count:45
Complexity:952
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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