83054-80-2 Purity
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Specification
The PubChem CID of PTCDA is 67191.
The molecular formula of PTCDA is C24H8O6.
The synonyms of PTCDA include 128-69-8, 3,4,9,10-Perylenetetracarboxylic dianhydride, Perylene-3,4,9,10-tetracarboxylic dianhydride, anthra[2,1,9-def:6,5,10-d'e'f']diisochromene-1,3,8,10-tetraone, and more.
The molecular weight of PTCDA is 392.3 g/mol.
PTCDA was created in PubChem on 2005-03-26.
The IUPAC name of PTCDA is 7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.
The InChI of PTCDA is InChI=1S/C24H8O6/c25-21-13-5-1-9-10-2-6-15-20-16(24(28)30-23(15)27)8-4-12(18(10)20)11-3-7-14(22(26)29-21)19(13)17(9)11/h1-8H.
The InChIKey of PTCDA is CLYVDMAATCIVBF-UHFFFAOYSA-N.
The canonical SMILES of PTCDA is C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)OC7=O).
The CAS number of PTCDA is 128-69-8.
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