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Reference substances

Reference substances

IUPAC name:
sodium 2-({2-amino-8-hydroxy-6-[(2-methylphenyl)sulfamoyl]-1-naphthyl}diazenyl)-5-[(chloroacetyl)amino]benzenesulfonate

Inventory

EC number:
274-395-5
EC name:
Sodium 2-[[2-amino-8-hydroxy-6-[(methylanilino)sulphonyl]-1-naphthyl]azo]-5-(chloroacetamido)benzenesulphonate
CAS number:
70209-97-1
CAS number:
70209-97-1
Synonyms
Names:
Benzenesulfonic acid, 2-[[2-amino-8-hydroxy-6-[ (methylphenylamino)sulfonyl]-1-naphthalenyl]azo]-5 -[(chloroacetyl)amino]-, monosodium salt
Benzenesulfonic acid, 2-[[2-amino-8-hydroxy-6-[(methylphenylamino)sulfonyl]-1-naphthalenyl]azo]-5-[(chloroacetyl)amino]-, monosodium salt

Molecular and structural information

Molecular formula:
C25H22ClN5O7S2.Na
Molecular weight:
ca. 626
SMILES notation:
[Na+].ClCC(=O)Nc4ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S(=O)(=O)Nc3ccccc3C)c(c4)S([O-])(=O)=O
InChl:
InChI=1/C25H22ClN5O7S2.Na/c1-14-4-2-3-5-19(14)31-39(34,35)17-10-15-6-8-18(27)25(24(15)21(32)12-17)30-29-20-9-7-16(28-23(33)13-26)11-22(20)40(36,37)38;/h2-12,31-32H,13,27H2,1H3,(H,28,33)(H,36,37,38);/q;+1/p-1
Structural formula:
Chemical structure

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