2H-1,2,3-Triazole, benzenesulfonic acid deriv.

85187-75-3

CAS Name

Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-(4-phenyl-2H-1,2,3-triazol-2-yl)-, sodium salt

Molecular Formula

C₃₀H₂₂N₆O₆S₂.xNa

Other Names and Identifiers

InChI

InChI=1S/C30H22N6O6S2.Na/c37-43(38,39)29-17-25(35-31-19-27(33-35)21-7-3-1-4-8-21)15-13-23(29)11-12-24-14-16-26(18-30(24)44(40,41)42)36-32-20-28(34-36)22-9-5-2-6-10-22;/h1-20H,(H,37,38,39)(H,40,41,42);

InChIKey

InChIKey=LMPFEIBDQJNTBI-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C=1C=C(C=CC1C=CC2=C(S(=O)(=O)O)C=C(C=C2)N3N=C(C=N3)C4=CC=CC=C4)N5N=C(C=N5)C6=CC=CC=C6.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)O)N3N=CC(=N3)C4=CC=CC=C4)N5N=CC(=N5)C6=CC=CC=C6

Other Names for this Substance