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Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]iron

Inventory

EC number:
205-047-2
EC name:
[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]iron
CAS number:
132-16-1
CAS number:
132-16-1
Synonyms
Names:
Identifier:
IUPAC name
Iron phthalocyanine
Identifier:
IUPAC name
Iron(II) phthalocyanine
Identifier:
IUPAC name
[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]iron
Identifier:
other: InChl
1S/C32H16N8.Fe/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2
Identifier:
other: SMILES notation
n1c2c3ccccc3c1nc1[n-]c(nc3nc(c4ccccc34)nc3[n-]c(n2)c2ccccc32)c2ccccc12.[Fe+2]

Molecular and structural information

Molecular formula:
C32H16FeN8
Molecular weight:
568.379
SMILES notation:
[Fe++].[n-]1c2nc3nc(nc4[n-]c(nc5nc(nc1c6ccccc26)c7ccccc57)c8ccccc48)c9ccccc39
InChl:
InChI=1S/C32H16N8.Fe/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1
Structural formula:
Chemical structure

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