Ru 535-bis TBA

CAS Registry Number®

207347-46-4
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CAS Name

Ru 535-bis TBA

Molecular Formula

C26H12N6O8RuS2.2C16H36N.2H

Cite this Page

Ru 535-bis TBA.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=207347-46-4 (retrieved 2024-05-02) (CAS RN: 207347-46-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H36N.2C12H8N2O4.2CNS.Ru/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*2-1-3;/h5-16H2,1-4H3;2*1-6H,(H,15,16)(H,17,18);;;/q+1;;;2*-1;+2/p-3

InChIKey

InChIKey=SMPRLEKXAMTEAT-UHFFFAOYSA-K

SMILES

[N-](=C=S)[Ru+2]12([N-]=C=S)([N]=3C(C=4[N]1=CC=C(C([O-])=O)C4)=CC(C([O-])=O)=CC3)[N]=5C(C=6[N]2=CC=C(C([O-])=O)C6)=CC(C([O-])=O)=CC5.[N+](CCCC)(CCCC)(CCCC)CCCC.[H+]

Canonical SMILES

[H+].O=C([O-])C1=CC=[N]2C(=C1)C=3C=C(C=C[N]3[Ru+2]24([N-]=C=S)([N-]=C=S)[N]5=CC=C(C=C5C=6C=C(C=C[N]64)C(=O)[O-])C(=O)[O-])C(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC

Other Names for this Substance

  • 1-Butanaminium, N,N,N-tributyl-, hydrogen (OC-6-21)-bis[[2,2′-bipyridine]-4,4′-dicarboxylato(2-)-κN1,κN1′]bis(thiocyanato-κN)ruthenate(4-) (2:2:1)
  • Ruthenate(4-), bis[[2,2′-bipyridine]-4,4′-dicarboxylato(2-)-κN1,κN1′]bis(thiocyanato-κN)-, (OC-6-21)-, bis(N,N,N-tributyl-1-butanaminium) dihydrogen
  • N 719 (dye)
  • N 719
  • Ruthenium 535bis-TBA

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Deleted or Replaced CAS Registry Numbers

351405-67-9, 1335118-87-0

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