2-[[4-Chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-5-[2-[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]-1,4-benzenedisulfonic acid
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![2-[[4-Chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-5-[2-[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]-1,4-benzenedisulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cd9e860e40d4451d9b766a5b4b07dd4b.png "2-[[4-Chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-5-[2-[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]-1,4-benzenedisulfonic acid")
2-[[4-Chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-5-[2-[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]-1,4-benzenedisulfonic acid
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CAS No:
93980-98-4
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Formula:
C21H24ClN7O12S3
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Chemical Name:
2-[[4-Chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-5-[2-[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]-1,4-benzenedisulfonic acid
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Synonyms:
1,4-Benzenedisulfonic acid,2-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-5-[2-[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]-;1,4-Benzenedisulfonic acid,2-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-5-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]azo]-;2-[[4-Chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-5-[2-[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]-1,4-benzenedisulfonic acid
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CAS No:
2-[[4-Chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-5-[2-[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]-1,4-benzenedisulfonic acid Basic Attributes
698.10296
698.10
301-079-7
Computed Properties
Molecular Weight:698.1
XLogP3:0.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:11
Exact Mass:697.0333604
Monoisotopic Mass:697.0333604
Topological Polar Surface Area:313
Heavy Atom Count:44
Complexity:1520
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-[[4-Chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-5-[2-[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]-1,4-benzenedisulfonic acid
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