2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[[2-[2-(1,1-dimethylethyl)-5-methylphenoxy]phenyl]azo]-4-hydroxy-, disodium salt

84083-07-8

CAS Name

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

Molecular Formula

C₃₄H₃₁N₃O₉S₂.2Na

Other Names and Identifiers

InChI

InChI=1S/C34H31N3O9S2.2Na/c1-20-14-15-24(34(2,3)4)28(16-20)46-27-13-9-8-12-25(27)36-37-31-29(48(43,44)45)18-22-17-23(47(40,41)42)19-26(30(22)32(31)38)35-33(39)21-10-6-5-7-11-21;;/h5-19,38H,1-4H3,(H,35,39)(H,40,41,42)(H,43,44,45);;

InChIKey

InChIKey=MHOVOTVAYHUYNE-UHFFFAOYSA-N

SMILES

N(C(=O)C1=CC=CC=C1)C=2C3=C(C=C(S(=O)(=O)O)C(N=NC4=C(OC5=C(C(C)(C)C)C=CC(C)=C5)C=CC=C4)=C3O)C=C(S(=O)(=O)O)C2.[Na]

Canonical SMILES

[Na].O=C(NC1=CC(=CC2=CC(=C(N=NC=3C=CC=CC3OC4=CC(=CC=C4C(C)(C)C)C)C(O)=C21)S(=O)(=O)O)S(=O)(=O)O)C=5C=CC=CC5

Other Names for this Substance