2-[4-[[4-[2-[1-Ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]benzoyl]amino]phenyl]-6-methyl-7-benzothiazolesulfonic acid
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![2-[4-[[4-[2-[1-Ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]benzoyl]amino]phenyl]-6-methyl-7-benzothiazolesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220805/64daf2a4e13a4c688e2f0a509de4915e.png "2-[4-[[4-[2-[1-Ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]benzoyl]amino]phenyl]-6-methyl-7-benzothiazolesulfonic acid")
2-[4-[[4-[2-[1-Ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]benzoyl]amino]phenyl]-6-methyl-7-benzothiazolesulfonic acid
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CAS No:
65402-16-6
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Formula:
C30H27N5O9S3
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Chemical Name:
2-[4-[[4-[2-[1-Ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]benzoyl]amino]phenyl]-6-methyl-7-benzothiazolesulfonic acid
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Synonyms:
7-Benzothiazolesulfonic acid,2-[4-[[4-[2-[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]benzoyl]amino]phenyl]-6-methyl-;7-Benzothiazolesulfonic acid,2-[4-[[4-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]azo]benzoyl]amino]phenyl]-6-methyl-;2-[4-[[4-[2-[1-Ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]benzoyl]amino]phenyl]-6-methyl-7-benzothiazolesulfonic acid
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CAS No:
2-[4-[[4-[2-[1-Ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]benzoyl]amino]phenyl]-6-methyl-7-benzothiazolesulfonic acid Basic Attributes
697.75848
697.76
265-734-8
Computed Properties
Molecular Weight:697.8
XLogP3:2.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:9
Exact Mass:697.09709098
Monoisotopic Mass:697.09709098
Topological Polar Surface Area:261
Heavy Atom Count:47
Complexity:1520
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-[4-[[4-[2-[1-Ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulfomethyl)-3-pyridinyl]diazenyl]benzoyl]amino]phenyl]-6-methyl-7-benzothiazolesulfonic acid
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