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Home > Encyclopedia > 4-[[4-[[4-chloro-6-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt

4-[[4-[[4-chloro-6-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt

4-[[4-[[4-chloro-6-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt structure

4-[[4-[[4-chloro-6-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt 

structure
  • CAS No:

    94157-83-2

  • Formula:

    C27H22ClN9O15S4.xNa

  • Chemical Name:

    4-[[4-[[4-chloro-6-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt

  • Synonyms:

    1H-Pyrazole-3-carboxylic acid,4-[2-[4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-,sodium salt (1:?);1H-Pyrazole-3-carboxylic acid,4-[[4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-,sodium salt

4-[[4-[[4-chloro-6-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt Basic Attributes

964.1552

962.908

303-050-4

Characteristics

409

2.99460

Computed Properties

Molecular Weight:964.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:23
Rotatable Bond Count:11
Exact Mass:962.9084504
Monoisotopic Mass:962.9084504
Topological Polar Surface Area:409
Heavy Atom Count:60
Complexity:1890
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes

Guide of 4-[[4-[[4-chloro-6-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt

4-[[4-[[4-chloro-6-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt

SDS

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