1-Butanaminium, N,N,N-tributyl-, (OC-6-11-Δ)-tris[3,4,5,6-tetrachloro-1,2-benzenediolato(2-)-κO1,κO2]phosphate(1-) (1:1)

CAS Registry Number®

301687-57-0
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CAS Name

1-Butanaminium, N,N,N-tributyl-, (OC-6-11-Δ)-tris[3,4,5,6-tetrachloro-1,2-benzenediolato(2-)-κO1,κO2]phosphate(1-) (1:1)

Molecular Formula

C18Cl12O6P.C16H36N

Cite this Page

1-Butanaminium, N,N,N-tributyl-, (OC-6-11-Δ)-tris[3,4,5,6-tetrachloro-1,2-benzenediolato(2-)-κO1,κO2]phosphate(1-) (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=301687-57-0 (retrieved 2024-04-19) (CAS RN: 301687-57-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18Cl12O6P.C16H36N/c19-1-2(20)8(26)14-13(7(1)25)31-37(32-14,33-15-9(27)3(21)4(22)10(28)16(15)34-37)35-17-11(29)5(23)6(24)12(30)18(17)36-37;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h;5-16H2,1-4H3/q-1;+1

InChIKey

InChIKey=GCGVBYHPNKLLAV-UHFFFAOYSA-N

SMILES

ClC1=C2[O-][P+5]34([O-]C=5C([O-]3)=C(Cl)C(Cl)=C(Cl)C5Cl)([O-]C=6C([O-]4)=C(Cl)C(Cl)=C(Cl)C6Cl)[O-]C2=C(Cl)C(Cl)=C1Cl.[N+](CCCC)(CCCC)(CCCC)CCCC

Canonical SMILES

ClC=1C(Cl)=C(Cl)C=2[O-][P+5]34([O-]C2C1Cl)([O-]C=5C(Cl)=C(Cl)C(Cl)=C(Cl)C5[O-]3)[O-]C=6C(Cl)=C(Cl)C(Cl)=C(Cl)C6[O-]4.CCCC[N+](CCCC)(CCCC)CCCC

Other Names for this Substance

  • 1-Butanaminium, N,N,N-tributyl-, (OC-6-11-Δ)-tris[3,4,5,6-tetrachloro-1,2-benzenediolato(2-)-κO1,κO2]phosphate(1-) (1:1)
  • 1-Butanaminium, N,N,N-tributyl-, (OC-6-11-Δ)-tris[3,4,5,6-tetrachloro-1,2-benzenediolato(2-)-κO,κO′]phosphate(1-)
  • Phosphate(1-), tris[3,4,5,6-tetrachloro-1,2-benzenediolato(2-)-κO,κO′]-, (OC-6-11-Δ)-, N,N,N-tributyl-1-butanaminium
  • Tetrabutylammonium Δ-tris(3,4,5,6-tetrachlorobenzenediolato)phosphate

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