4-[[2-[2-[2,5-Dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1,3-dioxobutyl]amino]-5-methoxy-2-methylbenzenesulfonic acid
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4-[[2-[2-[2,5-Dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1,3-dioxobutyl]amino]-5-methoxy-2-methylbenzenesulfonic acid
structure -
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CAS No:
82391-15-9
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Formula:
C22H27N3O14S3
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Chemical Name:
4-[[2-[2-[2,5-Dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1,3-dioxobutyl]amino]-5-methoxy-2-methylbenzenesulfonic acid
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Synonyms:
Benzenesulfonic acid,4-[[2-[2-[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1,3-dioxobutyl]amino]-5-methoxy-2-methyl-;Benzenesulfonic acid,4-[[2-[[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1,3-dioxobutyl]amino]-5-methoxy-2-methyl-;4-[[2-[2-[2,5-Dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1,3-dioxobutyl]amino]-5-methoxy-2-methylbenzenesulfonic acid
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CAS No:
4-[[2-[2-[2,5-Dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1,3-dioxobutyl]amino]-5-methoxy-2-methylbenzenesulfonic acid Basic Attributes
653.67
653.66
303-161-8
Safety Information
P261, P272, P280, P285, P302+P352, P304+P341, P321, P333+P313, P342+P311, P363, P501
H317
|Warning|H317 (23.81%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P333+P313, P337+P313, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 26 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P285, P302+P352, P304+P341, P321, P333+P313, P342+P311, P363, and P501|Aggregated GHS information provided by 3 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-[[2-[2-[2,5-Dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1,3-dioxobutyl]amino]-5-methoxy-2-methylbenzenesulfonic acid Use and Manufacturing
Benzenesulfonic acid, 4-[[2-[2-[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1,3-dioxobutyl]amino]-5-methoxy-2-methyl-: INACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.|Benzenesulfonic acid, 4-[[2-[2-[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1,3-dioxobutyl]amino]-5-methoxy-2-methyl-, sodium salt (1:?): ACTIVE
Computed Properties
Molecular Weight:653.7
XLogP3:0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:14
Exact Mass:653.06551606
Monoisotopic Mass:653.06551606
Topological Polar Surface Area:276
Heavy Atom Count:42
Complexity:1290
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-[[2-[2-[2,5-Dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1,3-dioxobutyl]amino]-5-methoxy-2-methylbenzenesulfonic acid
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