Benzenesulfonic acid, 4,4′-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)bis-, sodium salt (1:2)

CAS Registry Number®

40386-51-4
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CAS Name

Benzenesulfonic acid, 4,4′-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)bis-, sodium salt (1:2)

Molecular Formula

C26H20N2O6S2.2Na

Cite this Page

Benzenesulfonic acid, 4,4′-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)bis-, sodium salt (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40386-51-4 (retrieved 2024-09-19) (CAS RN: 40386-51-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H20N2O6S2.2Na/c1-15-13-23(17-3-7-19(8-4-17)35(29,30)31)21-11-12-22-24(14-16(2)28-26(22)25(21)27-15)18-5-9-20(10-6-18)36(32,33)34;;/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34);;

InChIKey

InChIKey=AOBKNBGTCQXAFL-UHFFFAOYSA-N

SMILES

CC1=NC2=C3C(C(=CC(C)=N3)C4=CC=C(S(=O)(=O)O)C=C4)=CC=C2C(=C1)C5=CC=C(S(=O)(=O)O)C=C5.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C=1C=CC(=CC1)C=2C=C(N=C3C=4N=C(C=C(C=5C=CC(=CC5)S(=O)(=O)O)C4C=CC32)C)C

Other Names for this Substance

  • Benzenesulfonic acid, 4,4′-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)bis-, sodium salt (1:2)
  • Benzenesulfonic acid, 4,4′-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)bis-, disodium salt
  • 2,9-Dimethyl-4,7-di(4-sulfophenyl)-1,10-phenanthroline disodium salt
  • Disodium 4,4′-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)dibenzenesulfonate

Deleted or Replaced CAS Registry Numbers

62750-33-8, 1190043-49-2