Benzenesulfonic acid, 3-[[4-[[5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[2-(4-sulfophenyl)ethyl]amino]-3-pyridinyl]azo]-2,5-dimethylphenyl]azo]-, sodium salt

CAS Name

Benzenesulfonic acid, 3-[[4-[[5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[2-(4-sulfophenyl)ethyl]amino]-3-pyridinyl]azo]-2,5-dimethylphenyl]azo]-, sodium salt

Molecular Formula

C₃₁H₃₂N₈O₇S₂.xNa

Other Names and Identifiers

InChI

InChI=1S/C31H32N8O7S2.Na/c1-19-16-28(20(2)15-27(19)37-36-23-5-4-6-25(17-23)48(44,45)46)38-39-29-21(3)26(18-32)30(34-13-14-40)35-31(29)33-12-11-22-7-9-24(10-8-22)47(41,42)43;/h4-10,15-17,40H,11-14H2,1-3H3,(H2,33,34,35)(H,41,42,43)(H,44,45,46);

InChIKey

InChIKey=HEYAXELNDOFKNY-UHFFFAOYSA-N

SMILES

N(CCC1=CC=C(S(=O)(=O)O)C=C1)C2=C(N=NC3=C(C)C=C(N=NC4=CC(S(=O)(=O)O)=CC=C4)C(C)=C3)C(C)=C(C#N)C(NCCO)=N2.[Na]

Canonical SMILES

[Na].N#CC1=C(N=C(NCCC2=CC=C(C=C2)S(=O)(=O)O)C(N=NC3=CC(=C(N=NC4=CC=CC(=C4)S(=O)(=O)O)C=C3C)C)=C1C)NCCO

Other Names for this Substance