Benzoic acid, 5-[[2-[(2-amino-8-hydroxy-6-sulfo-1-naphthalenyl)azo]-4-sulfophenyl]sulfonyl]-2-hydroxy-, sodium salt

83784-15-0

CAS Name

Benzoic acid, 5-[[2-[2-(2-amino-8-hydroxy-6-sulfo-1-naphthalenyl)diazenyl]-4-sulfophenyl]sulfonyl]-2-hydroxy-, sodium salt (1:?)

Molecular Formula

C₂₃H₁₇N₃O₁₂S₃.xNa

Other Names and Identifiers

InChI

InChI=1S/C23H17N3O12S3.Na/c24-16-4-1-11-7-14(41(36,37)38)10-19(28)21(11)22(16)26-25-17-9-13(40(33,34)35)3-6-20(17)39(31,32)12-2-5-18(27)15(8-12)23(29)30;/h1-10,27-28H,24H2,(H,29,30)(H,33,34,35)(H,36,37,38);

InChIKey

InChIKey=URXSJKCJCPAHTK-UHFFFAOYSA-N

SMILES

N(=NC1=C(S(=O)(=O)C2=CC(C(O)=O)=C(O)C=C2)C=CC(S(=O)(=O)O)=C1)C=3C4=C(C=C(S(=O)(=O)O)C=C4O)C=CC3N.[Na]

Canonical SMILES

[Na].O=C(O)C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2N=NC3=C(N)C=CC4=CC(=CC(O)=C43)S(=O)(=O)O)S(=O)(=O)O

Other Names for this Substance