2,3,9,10-tetrahexyl-12,14-dihydropentacene-5,7-dione

Systemtic Name: 2,3,9,10-tetrahexyl-12,14-dihydropentacene-5,7-dione Openeye Name: 2,3,9,10-tetrahexyl-12,14-dihydropentacene-5,7-dione CAS Name: 2,3,9,10-tetrahexyl-12,14-dihydropentacene-5,7-dione IUPAC Name: 2,3,9,10-tetrahexyl-12,14-dihydropentacene-5,7-dione Traditional Name: 2,3,9,10-tetrahexyl-12,14-dihydropentacene-5,7-quinone Formula: C46H62O2 MolecularWeight: 646.98328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)CC3=CC4=C(C=C3C2=O)C(=O)C5=CC(=C(C=C5C4)CCCCCC)CCCCCC)CCCCCC

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)CC3=CC4=C(C=C3C2=O)C(=O)C5=CC(=C(C=C5C4)CCCCCC)CCCCCC)CCCCCC

InChI

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