1,7-Naphthalenedisulfonic acid, 6-[[2-(4-cyclohexylphenoxy)phenyl]azo]-4-[[(2,4-dichlorophenoxy)acetyl]amino]-5-hydroxy-, disodium salt

83027-51-4

CAS Name

1,7-Naphthalenedisulfonic acid, 6-[2-[2-(4-cyclohexylphenoxy)phenyl]diazenyl]-4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-5-hydroxy-, sodium salt (1:2)

Molecular Formula

C₃₆H₃₁Cl₂N₃O₁₀S₂.2Na

Other Names and Identifiers

InChI

InChI=1S/C36H31Cl2N3O10S2.2Na/c37-23-12-16-29(26(38)18-23)50-20-33(42)39-28-15-17-31(52(44,45)46)25-19-32(53(47,48)49)35(36(43)34(25)28)41-40-27-8-4-5-9-30(27)51-24-13-10-22(11-14-24)21-6-2-1-3-7-21;;/h4-5,8-19,21,43H,1-3,6-7,20H2,(H,39,42)(H,44,45,46)(H,47,48,49);;

InChIKey

InChIKey=RGWFDAXWACBOJD-UHFFFAOYSA-N

SMILES

N(C(COC1=C(Cl)C=C(Cl)C=C1)=O)C=2C3=C(C(S(=O)(=O)O)=CC2)C=C(S(=O)(=O)O)C(N=NC4=C(OC5=CC=C(C=C5)C6CCCCC6)C=CC=C4)=C3O.[Na]

Canonical SMILES

[Na].O=C(NC1=CC=C(C=2C=C(C(N=NC=3C=CC=CC3OC4=CC=C(C=C4)C5CCCCC5)=C(O)C12)S(=O)(=O)O)S(=O)(=O)O)COC6=CC=C(Cl)C=C6Cl

Other Names for this Substance