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

Systemtic Name: 3,9-didodecyl-12,14-dihydropentacene-5,7-dione Openeye Name: 3,9-didodecyl-12,14-dihydropentacene-5,7-dione CAS Name: 3,9-didodecyl-12,14-dihydropentacene-5,7-dione IUPAC Name: 3,9-didodecyl-12,14-dihydropentacene-5,7-dione Traditional Name: 3,9-dilauryl-12,14-dihydropentacene-5,7-quinone Formula: C46H62O2 MolecularWeight: 646.98328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC2=C(CC3=CC4=C(C=C3C2=O)C(=O)C5=C(C4)C=CC(=C5)CCCCCCCCCCCC)C=C1

Isomeric SMILES

CCCCCCCCCCCCC1=CC2=C(CC3=CC4=C(C=C3C2=O)C(=O)C5=C(C4)C=CC(=C5)CCCCCCCCCCCC)C=C1

InChI

InChI=1S/C46H62O2/c1-3-5-7-9-11-13-15-17-19-21-23-35-25-27-37-31-39-33-40-32-38-28-26-36(24-22-20-18-16-14-12-10-8-6-4-2)30-42(38)46(48)44(40)34-43(39)45(47)41(37)29-35/h25-30,33-34H,3-24,31-32H2,1-2H3