Chlorphenoctium amsonate

CAS Registry Number®

7168-18-5

CAS Name

Chlorphenoctium amsonate

Molecular Formula

C17H28Cl2NO.C14H13N2O6S2

Cite this Page

Chlorphenoctium amsonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7168-18-5 (retrieved 2024-11-24) (CAS RN: 7168-18-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H28Cl2NO.C14H14N2O6S2/c1-4-5-6-7-8-9-12-20(2,3)14-21-17-11-10-15(18)13-16(17)19;15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h10-11,13H,4-9,12,14H2,1-3H3;1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/q+1;/p-1

InChIKey

InChIKey=GQCIBLGQUDFKGX-UHFFFAOYSA-M

SMILES

S(=O)(=O)([O-])C1=C(C=CC2=C(S(=O)(=O)O)C=C(N)C=C2)C=CC(N)=C1.O(C[N+](CCCCCCCC)(C)C)C1=C(Cl)C=C(Cl)C=C1

Canonical SMILES

O=S(=O)([O-])C1=CC(N)=CC=C1C=CC2=CC=C(N)C=C2S(=O)(=O)O.ClC1=CC=C(OC[N+](C)(C)CCCCCCCC)C(Cl)=C1

Other Names for this Substance

  • 1-Octanaminium, N-[(2,4-dichlorophenoxy)methyl]-N,N-dimethyl-, 2,2′-(1,2-ethenediyl)bis[5-aminobenzenesulfonate] (1:1)
  • Ammonium, [(2,4-dichlorophenoxy)methyl]dimethyloctyl-, 4,4′-diamino-2,2′-stilbenedisulfonate (1:1)
  • 1-Octanaminium, N-[(2,4-dichlorophenoxy)methyl]-N,N-dimethyl-, salt with 2,2′-(1,2-ethenediyl)bis[5-aminobenzenesulfonic acid] (1:1)
  • Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-amino-, ion(1-), N-[(2,4-dichlorophenoxy)methyl]-N,N-dimethyl-1-octanaminium
  • Chlorphenoctium amsonate

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