N,N-Dimethyl-N-octadecyl-1-octadecanaminium (SP-4-2)-[29H,31H-phthalocyanine-2-sulfonato(3-)-κN29,κN30,κN31,κN32]cuprate(1-) (1:1)

CAS Registry Number®

70750-63-9
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CAS Name

N,N-Dimethyl-N-octadecyl-1-octadecanaminium (SP-4-2)-[29H,31H-phthalocyanine-2-sulfonato(3-)-κN29,κN30,κN31,κN32]cuprate(1-) (1:1)

Molecular Formula

C38H80N.C32H15CuN8O3S

Cite this Page

N,N-Dimethyl-N-octadecyl-1-octadecanaminium (SP-4-2)-[29H,31H-phthalocyanine-2-sulfonato(3-)-κN29,κN30,κN31,κN32]cuprate(1-) (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70750-63-9 (retrieved 2024-09-21) (CAS RN: 70750-63-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H80N.C32H16N8O3S.Cu/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;41-44(42,43)16-13-14-23-24(15-16)32-39-30-22-12-6-5-11-21(22)28(37-30)35-26-18-8-2-1-7-17(18)25(33-26)34-27-19-9-3-4-10-20(19)29(36-27)38-31(23)40-32;/h5-38H2,1-4H3;1-15H,(H-2,33,34,35,36,37,38,39,40,41,42,43);/q+1;-2;+2/p-1

InChIKey

InChIKey=IPHJYJHJDIGARM-UHFFFAOYSA-M

SMILES

S(=O)(=O)([O-])C=1C=C2C=3[N-]4[Cu+2]56[N]7=C(N3)C=8C(C7=NC=9[N-]5C(N=C%10[N]6=C(N=C4C2=CC1)C=%11C%10=CC=CC%11)=C%12C9C=CC=C%12)=CC=CC8.C([N+](CCCCCCCCCCCCCCCCCC)(C)C)CCCCCCCCCCCCCCCCC

Canonical SMILES

O=S(=O)([O-])C=1C=CC=2C(C1)=C3N=C4C=5C=CC=CC5C=6N=C7C=8C=CC=CC8C9=NC=%10C=%11C=CC=CC%11C%12=NC2[N-]3[Cu+2]([N]%10%12)([N]64)[N-]97.CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC

Other Names for this Substance

  • 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, (SP-4-2)-[29H,31H-phthalocyanine-2-sulfonato(3-)-κN29,κN30,κN31,κN32]cuprate(1-) (1:1)
  • 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, (SP-4-2)-[29H,31H-phthalocyanine-2-sulfonato(3-)-N29,N30,N31,N32]cuprate(1-)
  • 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, (SP-4-2)-[29H,31H-phthalocyanine-2-sulfonato(3-)-κN29,κN30,κN31,κN32]cuprate(1-)
  • Cuprate(1-), [29H,31H-phthalocyanine-2-sulfonato(2-)-N29,N30,N31,N32]-, (SP-4-2)-, N,N-dimethyl-N-octadecyl-1-octadecanaminium
  • 29H,31H-Phthalocyanine-2-sulfonic acid, copper complex

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Deleted or Replaced CAS Registry Numbers

86753-78-8