2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-4-hydroxy-3-[(4-methyl-2-sulfophenyl)azo]-, trisodium salt

92408-46-3

CAS Name

2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-4-hydroxy-3-[2-(4-methyl-2-sulfophenyl)diazenyl]-, sodium salt (1:3)

Molecular Formula

C₂₄H₁₉N₃O₁₁S₃.3Na

Other Names and Identifiers

InChI

InChI=1S/C24H19N3O11S3.3Na/c1-13-7-8-17(19(9-13)40(33,34)35)26-27-22-20(41(36,37)38)11-15-10-16(39(30,31)32)12-18(21(15)23(22)28)25-24(29)14-5-3-2-4-6-14;;;/h2-12,28H,1H3,(H,25,29)(H,30,31,32)(H,33,34,35)(H,36,37,38);;;

InChIKey

InChIKey=IXXSKZJLEMYTQX-UHFFFAOYSA-N

SMILES

N(C(=O)C1=CC=CC=C1)C=2C3=C(C=C(S(=O)(=O)O)C(N=NC4=C(S(=O)(=O)O)C=C(C)C=C4)=C3O)C=C(S(=O)(=O)O)C2.[Na]

Canonical SMILES

[Na].O=C(NC1=CC(=CC2=CC(=C(N=NC3=CC=C(C=C3S(=O)(=O)O)C)C(O)=C21)S(=O)(=O)O)S(=O)(=O)O)C=4C=CC=CC4

Other Names for this Substance

Deleted or Replaced CAS Registry Numbers

139054-42-5