3,10-bis(3,5,5-trimethylhexyl)-7,14-dihydropentacene-5,12-dione

Systemtic Name: 3,10-bis(3,5,5-trimethylhexyl)-7,14-dihydropentacene-5,12-dione Openeye Name: 3,10-bis(3,5,5-trimethylhexyl)-7,14-dihydropentacene-5,12-dione CAS Name: 3,10-bis(3,5,5-trimethylhexyl)-7,14-dihydropentacene-5,12-dione IUPAC Name: 3,10-bis(3,5,5-trimethylhexyl)-7,14-dihydropentacene-5,12-dione Traditional Name: 3,10-bis(3,5,5-trimethylhexyl)-7,14-dihydropentacene-5,12-quinone Formula: C40H50O2 MolecularWeight: 562.8238

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(CC3=CC4=C(CC5=C(C4=O)C=C(C=C5)CCC(C)CC(C)(C)C)C=C3C2=O)C=C1)CC(C)(C)C

Isomeric SMILES

CC(CCC1=CC2=C(CC3=CC4=C(CC5=C(C4=O)C=C(C=C5)CCC(C)CC(C)(C)C)C=C3C2=O)C=C1)CC(C)(C)C

InChI

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