Benzenesulfonic acid, 2-[[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridinyl]azo]-5-nitro-, monosodium salt

84962-47-0

CAS Name

Benzenesulfonic acid, 2-[2-[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridinyl]diazenyl]-5-nitro-, sodium salt (1:1)

Molecular Formula

C₂₁H₂₇N₇O₇S.Na

Other Names and Identifiers

InChI

InChI=1S/C21H27N7O7S.Na/c1-14-16(13-22)20(23-8-4-10-34-2)25-21(24-9-5-11-35-3)19(14)27-26-17-7-6-15(28(29)30)12-18(17)36(31,32)33;/h6-7,12H,4-5,8-11H2,1-3H3,(H2,23,24,25)(H,31,32,33);

InChIKey

InChIKey=HIRNUBBAFOVEMO-UHFFFAOYSA-N

SMILES

N(CCCOC)C1=C(N=NC2=C(S(=O)(=O)O)C=C(N(=O)=O)C=C2)C(C)=C(C#N)C(NCCCOC)=N1.[Na]

Canonical SMILES

[Na].N#CC1=C(N=C(NCCCOC)C(N=NC2=CC=C(C=C2S(=O)(=O)O)N(=O)=O)=C1C)NCCCOC

Other Names for this Substance