Benzenesulfonic acid, 3,3′-[(2,2′-dimethyl[1,1′-biphenyl]-4,4′-diyl)bis[azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[4-chloro-, disodium salt

89923-60-4

CAS Name

Benzenesulfonic acid, 3,3′-[(2,2′-dimethyl[1,1′-biphenyl]-4,4′-diyl)bis[azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[4-chloro-, disodium salt

Molecular Formula

C₃₄H₂₈Cl₂N₈O₈S₂.2Na

Other Names and Identifiers

InChI

InChI=1S/C34H28Cl2N8O8S2.2Na/c1-17-13-21(37-39-31-19(3)41-43(33(31)45)29-15-23(53(47,48)49)7-11-27(29)35)5-9-25(17)26-10-6-22(14-18(26)2)38-40-32-20(4)42-44(34(32)46)30-16-24(54(50,51)52)8-12-28(30)36;;/h5-16,31-32H,1-4H3,(H,47,48,49)(H,50,51,52);;

InChIKey

InChIKey=YHZQOPNAYIYJAD-UHFFFAOYSA-N

SMILES

O=C1N(N=C(C)C1N=NC2=CC(C)=C(C=C2)C3=C(C)C=C(N=NC4C(=O)N(N=C4C)C5=CC(S(=O)(=O)O)=CC=C5Cl)C=C3)C6=CC(S(=O)(=O)O)=CC=C6Cl.[Na]

Canonical SMILES

[Na].O=C1N(N=C(C)C1N=NC=2C=CC(C3=CC=C(N=NC4C(=O)N(N=C4C)C5=CC(=CC=C5Cl)S(=O)(=O)O)C=C3C)=C(C2)C)C6=CC(=CC=C6Cl)S(=O)(=O)O

Other Names for this Substance

Deleted or Replaced CAS Registry Numbers

140197-94-0, 93982-49-1