7-Amino-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-8-[2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2-naphthalenesulfonic acid

177964-38-4

CAS Name

7-Amino-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-8-[2-[2-sulfo-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2-naphthalenesulfonic acid

Molecular Formula

C₂₆H₂₅N₅O₁₉S₆

Molecular Mass

903.89

Other Names and Identifiers

InChI

InChI=1S/C26H25N5O19S6/c27-20-7-6-18-19(24(20)30-29-21-8-5-17(13-22(21)53(37,38)39)52(35,36)12-10-50-56(46,47)48)14-23(54(40,41)42)25(26(18)32)31-28-15-1-3-16(4-2-15)51(33,34)11-9-49-55(43,44)45/h1-8,13-14,32H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)

InChIKey

InChIKey=VDDNBWJTSJZVEW-UHFFFAOYSA-N

SMILES

N(=NC1=C(S(=O)(=O)O)C=C(S(CCOS(=O)(=O)O)(=O)=O)C=C1)C=2C3=C(C(O)=C(N=NC4=CC=C(S(CCOS(=O)(=O)O)(=O)=O)C=C4)C(S(=O)(=O)O)=C3)C=CC2N

Canonical SMILES

O=S(=O)(O)OCCS(=O)(=O)C1=CC=C(N=NC=2C(O)=C3C=CC(N)=C(N=NC4=CC=C(C=C4S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)C3=CC2S(=O)(=O)O)C=C1

Other Names for this Substance