2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[[2-[4-(1,1-dimethylpropyl)phenoxy]phenyl]azo]-4-hydroxy-, sodium salt

CAS Name

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

Molecular Formula

C₃₄H₃₁N₃O₉S₂.xNa

Other Names and Identifiers

InChI

InChI=1S/C34H31N3O9S2.Na/c1-4-34(2,3)23-14-16-24(17-15-23)46-28-13-9-8-12-26(28)36-37-31-29(48(43,44)45)19-22-18-25(47(40,41)42)20-27(30(22)32(31)38)35-33(39)21-10-6-5-7-11-21;/h5-20,38H,4H2,1-3H3,(H,35,39)(H,40,41,42)(H,43,44,45);

InChIKey

InChIKey=OWOVLIVLKQVVAE-UHFFFAOYSA-N

SMILES

N(C(=O)C1=CC=CC=C1)C=2C3=C(C=C(S(=O)(=O)O)C(N=NC4=C(OC5=CC=C(C(CC)(C)C)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=C(C=C4)C(C)(C)CC)C(O)=C21)S(=O)(=O)O)S(=O)(=O)O)C=5C=CC=CC5

Other Names for this Substance