Catalog Number:
AG001D5W
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4-[2-[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:2)
CAS Number:
14552-81-9
Molecular Formula:
C19H11Cl2N8Na2O9S2+
Molecular Weight:
676.3544
IUPAC Name:
disodium;4-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
InChI:
InChI=1S/C19H12Cl2N8O9S2.2Na/c20-17-23-18(21)25-19(24-17)22-8-1-6-12(40(36,37)38)11(7-8)26-27-13-14(16(31)32)28-29(15(13)30)9-2-4-10(5-3-9)39(33,34)35;;/h1-7,13H,(H,31,32)(H,33,34,35)(H,36,37,38)(H,22,23,24,25);;/q;2*+1/p-2
InChI Key:
IJWSYYJWKIXBGI-UHFFFAOYSA-L
SMILES:
O=C1N(N=C(C1N=Nc1cc(ccc1S(=O)(=O)O)Nc1nc(Cl)nc(n1)Cl)C(=O)[O-])c1ccc(cc1)S(=O)(=O)O.[Na+].[Na+]
EC Number:
238-599-8