2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-[[6-sulfo-8-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]azo]-, sodium salt

85958-91-4

CAS Name

2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-[2-[6-sulfo-8-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]diazenyl]-, sodium salt (1:?)

Molecular Formula

C₂₄H₂₁N₃O₁₄S₄.xNa

Other Names and Identifiers

InChI

InChI=1S/C24H21N3O14S4.Na/c1-13(28)25-16-4-5-19-15(8-16)10-22(44(35,36)37)23(24(19)29)27-26-17-3-2-14-9-18(43(32,33)34)12-21(20(14)11-17)42(30,31)7-6-41-45(38,39)40;/h2-5,8-12,29H,6-7H2,1H3,(H,25,28)(H,32,33,34)(H,35,36,37)(H,38,39,40);

InChIKey

InChIKey=YOGRWUSNRFGIRW-UHFFFAOYSA-N

SMILES

S(CCOS(=O)(=O)O)(=O)(=O)C=1C2=C(C=C(S(=O)(=O)O)C1)C=CC(N=NC=3C(S(=O)(=O)O)=CC4=C(C3O)C=CC(NC(C)=O)=C4)=C2.[Na]

Canonical SMILES

[Na].O=C(NC=1C=CC2=C(O)C(N=NC3=CC=C4C=C(C=C(C4=C3)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)=C(C=C2C1)S(=O)(=O)O)C

Other Names for this Substance