3,9-bis(3,5,5-trimethylhexyl)-12,14-dihydropentacene-5,7-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(CC3=CC4=C(C=C3C2=O)C(=O)C5=C(C4)C=CC(=C5)CCC(C)CC(C)(C)C)C=C1)CC(C)(C)C

Isomeric SMILES

CC(CCC1=CC2=C(CC3=CC4=C(C=C3C2=O)C(=O)C5=C(C4)C=CC(=C5)CCC(C)CC(C)(C)C)C=C1)CC(C)(C)C

InChI

InChI=1S/C40H50O2/c1-25(23-39(3,4)5)9-11-27-13-15-29-19-31-21-32-20-30-16-14-28(12-10-26(2)24-40(6,7)8)18-34(30)38(42)36(32)22-35(31)37(41)33(29)17-27/h13-18,21-22,25-26H,9-12,19-20,23-24H2,1-8H3