Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

Inventory

EC number:
233-418-9
EC name:
4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
CAS number:
10149-98-1

No inventory information available

Reference substance information

IUPAC name:
5-oxo-4-[(E)-2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl]-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
Synonyms
Names:
Identifier:
IUPAC name
5-oxo-4-[(4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid

CAS information

CAS number:
10149-98-1

Molecular and structural information

Molecular formula:
C18H16N4O12S3
Molecular weight:
576.538
SMILES notation:
O=C(O)C1=NN(C(=O)[C@@H]1\N=N\c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1)c1ccc(S(=O)(=O)O)cc1
InChl:
1S/C18H16N4O12S3/c23-17-15(16(18(24)25)21-22(17)12-3-7-14(8-4-12)36(28,29)30)20-19-11-1-5-13(6-2-11)35(26,27)10-9-34-37(31,32)33/h1-8,15H,9-10H2,(H,24,25)(H,28,29,30)(H,31,32,33)/b20-19+
Structural formula:
Chemical structure