![Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-chloro-6-[[3-[[1-(2-chloro-5-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-, hexasodium salt](https://newcny.com/wp-content/uploads/2024/12/85959-11-1.svg)
CAS Registry Number®
85959-11-1
CAS Name
Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-chloro-6-[[3-[[1-(2-chloro-5-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-, hexasodium salt
Molecular Formula
C52H38Cl4N18O20S6.6Na
Other Names and Identifiers
InChI
InChI=1S/C52H38Cl4N18O20S6.6Na/c1-23-43(45(75)73(71-23)37-21-31(95(77,78)79)11-13-33(37)53)69-67-35-17-27(9-15-39(35)97(83,84)85)57-49-61-47(55)63-51(65-49)59-29-7-5-25(41(19-29)99(89,90)91)3-4-26-6-8-30(20-42(26)100(92,93)94)60-52-64-48(56)62-50(66-52)58-28-10-16-40(98(86,87)88)36(18-28)68-70-44-24(2)72-74(46(44)76)38-22-32(96(80,81)82)12-14-34(38)54;;;;;;/h3-22,43-44H,1-2H3,(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H2,57,59,61,63,65)(H2,58,60,62,64,66);;;;;;
InChIKey
InChIKey=VMOQVWIFXQTHAV-UHFFFAOYSA-N
SMILES
O=C1N(N=C(C)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(=O)N(N=C8C)C9=CC(S(=O)(=O)O)=CC=C9Cl)=C(S(=O)(=O)O)C=C7)N=C(Cl)N6)C=C5)C=C4)N=C(Cl)N3)=C2)C%10=CC(S(=O)(=O)O)=CC=C%10Cl.[Na]
Canonical SMILES
[Na].O=C1N(N=C(C)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)C9=CC(=CC=C9Cl)S(=O)(=O)O)=C7)S(=O)(=O)O)C(=C4)S(=O)(=O)O)C%10=CC(=CC=C%10Cl)S(=O)(=O)O
Other Names for this Substance
- Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-chloro-6-[[3-[[1-(2-chloro-5-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-, hexasodium salt
Deleted or Replaced CAS Registry Numbers
160227-40-7
