Hexadecachlorophthalocyanine

CAS Registry Number®

28888-81-5
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CAS Name

Hexadecachlorophthalocyanine

Molecular Formula

C32H2Cl16N8

Molecular Mass

1065.66

Cite this Page

Hexadecachlorophthalocyanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=28888-81-5 (retrieved 2024-04-25) (CAS RN: 28888-81-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H2Cl16N8/c33-9-1-2(10(34)18(42)17(9)41)26-49-25(1)53-27-3-4(12(36)20(44)19(43)11(3)35)29(50-27)55-31-7-8(16(40)24(48)23(47)15(7)39)32(52-31)56-30-6-5(28(51-30)54-26)13(37)21(45)22(46)14(6)38/h(H2,49,50,51,52,53,54,55,56)

InChIKey

InChIKey=PQAXGPJSVFSKAI-UHFFFAOYSA-N

SMILES

ClC=1C=2C(=C3NC2NC=4C=5C(C(N4)=NC=6C=7C(C(=NC8=NC(=N3)C=9C8=C(Cl)C(Cl)=C(Cl)C9Cl)N6)=C(Cl)C(Cl)=C(Cl)C7Cl)=C(Cl)C(Cl)=C(Cl)C5Cl)C(Cl)=C(Cl)C1Cl

Canonical SMILES

ClC=1C(Cl)=C(Cl)C=2C3=NC(=NC4=NC(=NC=5NC(NC6=NC(=N3)C=7C(Cl)=C(Cl)C(Cl)=C(Cl)C67)=C8C(Cl)=C(Cl)C(Cl)=C(Cl)C58)C=9C(Cl)=C(Cl)C(Cl)=C(Cl)C49)C2C1Cl

Other Names for this Substance

  • 29H,31H-Phthalocyanine, 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-hexadecachloro-
  • Phthalocyanine, hexadecachloro-
  • 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-Hexadecachloro-29H,31H-phthalocyanine
  • Hexadecachlorophthalocyanine

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