3,9-dihexyl-12,14-dihydropentacene-5,7-dione

Systemtic Name: 3,9-dihexyl-12,14-dihydropentacene-5,7-dione Openeye Name: 3,9-dihexyl-12,14-dihydropentacene-5,7-dione CAS Name: 3,9-dihexyl-12,14-dihydropentacene-5,7-dione IUPAC Name: 3,9-dihexyl-12,14-dihydropentacene-5,7-dione Traditional Name: 3,9-dihexyl-12,14-dihydropentacene-5,7-quinone Formula: C34H38O2 MolecularWeight: 478.66432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(CC3=CC4=C(C=C3C2=O)C(=O)C5=C(C4)C=CC(=C5)CCCCCC)C=C1

Isomeric SMILES

CCCCCCC1=CC2=C(CC3=CC4=C(C=C3C2=O)C(=O)C5=C(C4)C=CC(=C5)CCCCCC)C=C1

InChI

InChI=1S/C34H38O2/c1-3-5-7-9-11-23-13-15-25-19-27-21-28-20-26-16-14-24(12-10-8-6-4-2)18-30(26)34(36)32(28)22-31(27)33(35)29(25)17-23/h13-18,21-22H,3-12,19-20H2,1-2H3