Copper 2,9,16,23-tetranitrophthalocyanine

CAS Registry Number®

118-20-7
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CAS Name

Copper 2,9,16,23-tetranitrophthalocyanine

Molecular Formula

C32H12CuN12O8

Cite this Page

Copper 2,9,16,23-tetranitrophthalocyanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=118-20-7 (retrieved 2024-06-23) (CAS RN: 118-20-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H12N12O8.Cu/c45-41(46)13-1-5-17-21(9-13)29-33-25(17)37-30-22-10-14(42(47)48)2-6-18(22)27(34-30)39-32-24-12-16(44(51)52)4-8-20(24)28(36-32)40-31-23-11-15(43(49)50)3-7-19(23)26(35-31)38-29;/h1-12H;/q-2;+2

InChIKey

InChIKey=XMDRZBNAWZRYFF-UHFFFAOYSA-N

SMILES

N(=O)(=O)C=1C=C2C=3[N-]4[Cu+2]56[N-]7C(=C8C(=C7N=C9[N]5=C(N3)C=%10C9=CC(N(=O)=O)=CC%10)C=CC(N(=O)=O)=C8)N=C%11[N]6=C(N=C4C2=CC1)C=%12C%11=CC=C(N(=O)=O)C%12

Canonical SMILES

O=N(=O)C=1C=CC2=C(C1)C3=NC4=C5C=CC(=CC5=C6N=C7C8=CC=C(C=C8C=9N=C%10C=%11C=CC(=CC%11C%12=NC2=[N]3[Cu+2]([N]79)([N-]46)[N-]%10%12)N(=O)=O)N(=O)=O)N(=O)=O

Other Names for this Substance

  • Copper, [2,9,16,23-tetranitro-29H,31H-phthalocyaninato(2-)-κN29,κN30,κN31,κN32]-, (SP-4-1)-
  • Copper, [2,9,16,23-tetranitrophthalocyaninato(2-)]-
  • Copper, [2,9,16,23-tetranitro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (SP-4-1)-
  • 29H,31H-Phthalocyanine, 2,9,16,23-tetranitro-, copper complex
  • (SP-4-1)-[2,9,16,23-Tetranitro-29H,31H-phthalocyaninato(2-)-κN29,κN30,κN31,κN32]copper

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Deleted or Replaced CAS Registry Numbers

16049-09-5, 27614-80-8, 72805-42-6, 1415993-71-3

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