5-(Acetylamino)-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2,7-naphthalenedisulfonic acid

68134-16-7

CAS Name

5-(Acetylamino)-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2,7-naphthalenedisulfonic acid

Molecular Formula

C₂₀H₁₉N₃O₁₄S₄

Molecular Mass

653.64

Other Names and Identifiers

InChI

InChI=1S/C20H19N3O14S4/c1-11(24)21-16-10-15(39(28,29)30)8-12-9-17(40(31,32)33)19(20(25)18(12)16)23-22-13-2-4-14(5-3-13)38(26,27)7-6-37-41(34,35)36/h2-5,8-10,25H,6-7H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33)(H,34,35,36)

InChIKey

InChIKey=QUCPKFUMCQOBHO-UHFFFAOYSA-N

SMILES

N(C(C)=O)C=1C2=C(C=C(S(=O)(=O)O)C(N=NC3=CC=C(S(CCOS(=O)(=O)O)(=O)=O)C=C3)=C2O)C=C(S(=O)(=O)O)C1

Canonical SMILES

O=C(NC1=CC(=CC=2C=C(C(N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)=C(O)C21)S(=O)(=O)O)S(=O)(=O)O)C

Other Names for this Substance