1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-2-sulfophenyl]diazenyl]-5-hydroxy-, sodium salt (1:?)
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![1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-2-sulfophenyl]diazenyl]-5-hydroxy-, sodium salt (1:?) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/eed143072ae346f984cbbda343c31a0c.png "1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-2-sulfophenyl]diazenyl]-5-hydroxy-, sodium salt (1:?)")
1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-2-sulfophenyl]diazenyl]-5-hydroxy-, sodium salt (1:?)
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CAS No:
83399-75-1
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Formula:
C29H21ClF2N6O11S3.xNa
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Chemical Name:
1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-2-sulfophenyl]diazenyl]-5-hydroxy-, sodium salt (1:?)
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Synonyms:
1,7-Naphthalenedisulfonic acid,4-(benzoylamino)-6-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-2-sulfophenyl]diazenyl]-5-hydroxy-,sodium salt (1:?);1,7-Naphthalenedisulfonic acid,4-(benzoylamino)-6-[[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-2-sulfophenyl]azo]-5-hydroxy-,sodium salt
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CAS No:
1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-2-sulfophenyl]diazenyl]-5-hydroxy-, sodium salt (1:?) Basic Attributes
865.1009364
863.955
280-388-8
Computed Properties
Molecular Weight:865.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:7
Exact Mass:863.9545358
Monoisotopic Mass:863.9545358
Topological Polar Surface Area:300
Heavy Atom Count:55
Complexity:1590
Covalently-Bonded Unit Count:4
Compound Is Canonicalized:Yes
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1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-2-sulfophenyl]diazenyl]-5-hydroxy-, sodium salt (1:?)
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