CAS Registry Number®
CAS Name
1H-Pyrazole-3-carboxylic acid, 4,4′-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)-2,1-diazenediyl]]bis[4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:8)
Molecular Formula
C52H36Cl2N18O24S6.8Na
Other Names and Identifiers
InChI
InChI=1S/C52H36Cl2N18O24S6.8Na/c53-47-59-49(55-25-7-17-35(99(85,86)87)33(19-25)65-67-39-41(45(75)76)69-71(43(39)73)29-9-13-31(14-10-29)97(79,80)81)63-51(61-47)57-27-5-3-23(37(21-27)101(91,92)93)1-2-24-4-6-28(22-38(24)102(94,95)96)58-52-62-48(54)60-50(64-52)56-26-8-18-36(100(88,89)90)34(20-26)66-68-40-42(46(77)78)70-72(44(40)74)30-11-15-32(16-12-30)98(82,83)84;;;;;;;;/h1-22,39-40H,(H,75,76)(H,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H2,55,57,59,61,63)(H2,56,58,60,62,64);;;;;;;;
InChIKey
InChIKey=AYYVTKQIIBKZHS-UHFFFAOYSA-N
SMILES
O=C1N(N=C(C(O)=O)C1N=NC2=C(S(=O)(=O)O)C=CC(NC=3N=C(NC4=CC(S(=O)(=O)O)=C(C=CC5=C(S(=O)(=O)O)C=C(NC=6N=C(NC7=CC(N=NC8C(C(O)=O)=NN(C8=O)C9=CC=C(S(=O)(=O)O)C=C9)=C(S(=O)(=O)O)C=C7)N=C(Cl)N6)C=C5)C=C4)N=C(Cl)N3)=C2)C%10=CC=C(S(=O)(=O)O)C=C%10.[Na]
Canonical SMILES
[Na].O=C(O)C1=NN(C(=O)C1N=NC2=CC(=CC=C2S(=O)(=O)O)NC3=NC(Cl)=NC(=N3)NC4=CC=C(C=CC5=CC=C(C=C5S(=O)(=O)O)NC=6N=C(Cl)N=C(N6)NC7=CC=C(C(N=NC8C(=O)N(N=C8C(=O)O)C9=CC=C(C=C9)S(=O)(=O)O)=C7)S(=O)(=O)O)C(=C4)S(=O)(=O)O)C%10=CC=C(C=C%10)S(=O)(=O)O
Other Names for this Substance
- 1H-Pyrazole-3-carboxylic acid, 4,4′-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)-2,1-diazenediyl]]bis[4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:8)
- 1H-Pyrazole-3-carboxylic acid, 4,4′-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo]]bis[4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, octasodium salt
- C.I. 25830
- C.I. Reactive Yellow 179
- Reactive Yellow 179
- Novacron Yellow C 5G
Deleted or Replaced CAS Registry Numbers
160273-87-0
