1-Naphthalenesulfonic acid, 7-(acetylamino)-3-hydroxy-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-, monosodium salt

84083-08-9

CAS Name

1-Naphthalenesulfonic acid, 7-(acetylamino)-3-hydroxy-4-[2-(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-, sodium salt (1:1)

Molecular Formula

C₁₉H₁₆N₄O₈S.Na

Other Names and Identifiers

InChI

InChI=1S/C19H16N4O8S.Na/c1-9-5-14(19(26)15(6-9)23(27)28)21-22-18-12-4-3-11(20-10(2)24)7-13(12)17(8-16(18)25)32(29,30)31;/h3-8,25-26H,1-2H3,(H,20,24)(H,29,30,31);

InChIKey

InChIKey=MDLKVJNIUILMRV-UHFFFAOYSA-N

SMILES

N(=NC1=C(O)C(N(=O)=O)=CC(C)=C1)C=2C3=C(C(S(=O)(=O)O)=CC2O)C=C(NC(C)=O)C=C3.[Na]

Canonical SMILES

[Na].O=C(NC1=CC=C2C(N=NC=3C=C(C=C(C3O)N(=O)=O)C)=C(O)C=C(C2=C1)S(=O)(=O)O)C

Other Names for this Substance