3,9-di(nonyl)-12,14-dihydropentacene-5,7-dione

Systemtic Name: 3,9-di(nonyl)-12,14-dihydropentacene-5,7-dione Openeye Name: 3,9-di(nonyl)-12,14-dihydropentacene-5,7-dione CAS Name: 3,9-di(nonyl)-12,14-dihydropentacene-5,7-dione IUPAC Name: 3,9-di(nonyl)-12,14-dihydropentacene-5,7-dione Traditional Name: 3,9-di(nonyl)-12,14-dihydropentacene-5,7-quinone Formula: C40H50O2 MolecularWeight: 562.8238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC2=C(CC3=CC4=C(C=C3C2=O)C(=O)C5=C(C4)C=CC(=C5)CCCCCCCCC)C=C1

Isomeric SMILES

CCCCCCCCCC1=CC2=C(CC3=CC4=C(C=C3C2=O)C(=O)C5=C(C4)C=CC(=C5)CCCCCCCCC)C=C1

InChI

InChI=1S/C40H50O2/c1-3-5-7-9-11-13-15-17-29-19-21-31-25-33-27-34-26-32-22-20-30(18-16-14-12-10-8-6-4-2)24-36(32)40(42)38(34)28-37(33)39(41)35(31)23-29/h19-24,27-28H,3-18,25-26H2,1-2H3