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1,4,8,11-tetraphenylpentacene-6,13-dione

1,4,8,11-tetraphenylpentacene-6,13-dione

Systemtic Name:1,4,8,11-tetraphenylpentacene-6,13-dione
Openeye Name:1,4,8,11-tetraphenylpentacene-6,13-dione
CAS Name:1,4,8,11-tetraphenylpentacene-6,13-dione
IUPAC Name:1,4,8,11-tetraphenylpentacene-6,13-dione
Traditional Name:1,4,8,11-tetraphenylpentacene-6,13-quinone
Formula: C46H28O2
MolecularWeight: 612.71332
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C4C(=CC3=C(C=C2)C5=CC=CC=C5)C(=O)C6=CC7=C(C=CC(=C7C=C6C4=O)C8=CC=CC=C8)C9=CC=CC=C9


Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C4C(=CC3=C(C=C2)C5=CC=CC=C5)C(=O)C6=CC7=C(C=CC(=C7C=C6C4=O)C8=CC=CC=C8)C9=CC=CC=C9


InChI

InChI=1S/C46H28O2/c47-45-41-25-37-33(29-13-5-1-6-14-29)21-22-34(30-15-7-2-8-16-30)38(37)26-42(41)46(48)44-28-40-36(32-19-11-4-12-20-32)24-23-35(39(40)27-43(44)45)31-17-9-3-10-18-31/h1-28H


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