9-methyl-3-(7-methyl-9,9-dioctyl-fluoren-2-yl)-6,6-dioctyl-benzo[d][1,3]benzodioxepine

Systemtic Name: 9-methyl-3-(7-methyl-9,9-dioctyl-fluoren-2-yl)-6,6-dioctyl-benzo[d][1,3]benzodioxepine Openeye Name: 9-methyl-3-(7-methyl-9,9-dioctyl-fluoren-2-yl)-6,6-dioctyl-benzo[d][1,3]benzodioxepine CAS Name: 9-methyl-3-(7-methyl-9,9-dioctyl-2-fluorenyl)-6,6-dioctylbenzo[d][1,3]benzodioxepin IUPAC Name: 9-methyl-3-(7-methyl-9,9-dioctylfluoren-2-yl)-6,6-dioctylbenzo[d][1,3]benzodioxepine Traditional Name: 9-methyl-3-(7-methyl-9,9-dioctyl-fluoren-2-yl)-6,6-dioctyl-benzo[d][1,3]benzodioxepin Formula: C60H86O2 MolecularWeight: 839.32364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C2=C(C=CC(=C2)C)C3=C1C=C(C=C3)C4=CC5=C(C=C4)C6=C(C=C(C=C6)C)OC(O5)(CCCCCCCC)CCCCCCCC)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1(C2=C(C=CC(=C2)C)C3=C1C=C(C=C3)C4=CC5=C(C=C4)C6=C(C=C(C=C6)C)OC(O5)(CCCCCCCC)CCCCCCCC)CCCCCCCC

InChI

InChI=1S/C60H86O2/c1-7-11-15-19-23-27-39-59(40-28-24-20-16-12-8-2)55-43-47(5)31-35-51(55)52-37-33-49(45-56(52)59)50-34-38-54-53-36-32-48(6)44-57(53)61-60(62-58(54)46-50,41-29-25-21-17-13-9-3)42-30-26-22-18-14-10-4/h31-38,43-46H,7-30,39-42H2,1-6H3