1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, sodium salt

85567-16-4

CAS Name

1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:?)

Molecular Formula

C₂₅H₂₁N₃O₁₄S₄.xNa

Other Names and Identifiers

InChI

InChI=1S/C25H21N3O14S4.Na/c29-24-22-18(20(44(33,34)35)11-10-19(22)26-25(30)15-4-2-1-3-5-15)14-21(45(36,37)38)23(24)28-27-16-6-8-17(9-7-16)43(31,32)13-12-42-46(39,40)41;/h1-11,14,29H,12-13H2,(H,26,30)(H,33,34,35)(H,36,37,38)(H,39,40,41);

InChIKey

InChIKey=UALMNLWOJYXVTI-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C=1C2=C(C(NC(=O)C3=CC=CC=C3)=CC1)C(O)=C(N=NC4=CC=C(S(CCOS(=O)(=O)O)(=O)=O)C=C4)C(S(=O)(=O)O)=C2.[Na]

Canonical SMILES

[Na].O=C(NC1=CC=C(C=2C=C(C(N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)=C(O)C12)S(=O)(=O)O)S(=O)(=O)O)C=4C=CC=CC4

Other Names for this Substance