Registration Dossier

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
disodium 2-amino-4-acetamido-5-[(1E)-2-{4-[2-(sulfonatooxy)ethanesulfonyl]phenyl}diazen-1-yl]benzene-1-sulfonate

Inventory

CAS number:
1354632-48-6
Synonyms
Names:
Identifier:
CAS number
94158-82-4
Identifier:
EC number
303-156-0
Identifier:
IUPAC name
4-acetamido-5-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]anthranilic acid, sodium salt
Identifier:
IUPAC name
Disodium 4-(acetylamino)-2-amino-5-[[4-[[2-(sulfonatooxy)ethyl]sulfonyl]phenyl]azo]-benzensulfonate
Identifier:
IUPAC name
disodium 2-amino-4-acetamido-5-[(1E)-2-{4-[2-(sulfonatooxy)ethanesulfonyl]phenyl}diazen-1-yl]benzene-1-sulfonate
Identifier:
other: Molecular formula
C16H16N4Na2O10S3
Identifier:
other: Molecular formula
C16H18N4O10S3.xNa x=1~2, typical x=2
Identifier:
other: SMILES notation
[Na+].[Na+].CC(=O)NC1=CC(N)=C(C=C1\N=N\C1=CC=C(C=C1)S(=O)(=O)CCOS([O-])(=O)=O)S([O-])(=O)=O
sodium 2-amino-4-acetamido-5-[2-(4-{[2-(sulfonatooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzene-1-sulfonate

Molecular and structural information

Molecular formula:
C16H18N4O10S3.xNa
C16H16N4Na2O10S3 as disodium salt
Molecular weight:
ca. 522.5 - ca. 566.5
SMILES notation:
C1(=CC=C(C=C1)N=NC2=C(C=C(C(=C2)[S]([O-])(=O)=O)N)NC(C)=O)[S](CCO[S]([O-])(=O)=O)(=O)=O.[Na+].[Na+]
InChl:
InChI=1S/C16H18N4O10S3.2Na/c1-10(21)18-14-8-13(17)16(32(24,25)26)9-15(14)20-19-11-2-4-12(5-3-11)31(22,23)7-6-30-33(27,28)29;;/h2-5,8-9H,6-7,17H2,1H3,(H,18,21)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
Structural formula:
Chemical structure

Related substances

Identifier:
CAS number
Identity:
94158-82-4