1,7-Naphthalenedisulfonic acid, 5-hydroxy-4-[[(6-hydroxy-2-naphthalenyl)sulfonyl]amino]-, coupled with diazotized aniline, o- and p-toluidine, ammonium sodium salts

90431-96-2

CAS Name

1,7-Naphthalenedisulfonic acid, 5-hydroxy-4-[[(6-hydroxy-2-naphthalenyl)sulfonyl]amino]-, coupled with diazotized aniline, o– and p-toluidine, ammonium sodium salts

Molecular Formula

C₂₀H₁₅NO₁₀S₃.C₇H₉N.C₇H₉N.C₆H₇N.H₃N.Na

Other Names and Identifiers

InChI

InChI=1S/C20H15NO10S3.2C7H9N.C6H7N.H3N.Na/c22-13-3-1-12-8-14(4-2-11(12)7-13)32(24,25)21-17-5-6-19(34(29,30)31)16-9-15(33(26,27)28)10-18(23)20(16)17;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;7-6-4-2-1-3-5-6;;/h1-10,21-23H,(H,26,27,28)(H,29,30,31);2*2-5H,8H2,1H3;1-5H,7H2;1H3;

InChIKey

InChIKey=KNGNVJYKFYBPKD-UHFFFAOYSA-N

SMILES

N.[Na].S(=O)(=O)(O)C=1C2=C(C(NS(=O)(=O)C3=CC4=C(C=C3)C=C(O)C=C4)=CC1)C(O)=CC(S(=O)(=O)O)=C2.CC1=CC=C(N)C=C1.CC1=C(N)C=CC=C1.NC1=CC=CC=C1

Canonical SMILES

[Na].O=S(=O)(O)C=1C=C(O)C=2C(=CC=C(C2C1)S(=O)(=O)O)NS(=O)(=O)C3=CC=C4C=C(O)C=CC4=C3.N.NC=1C=CC=CC1.NC1=CC=C(C=C1)C.NC=1C=CC=CC1C

Other Names for this Substance