9-methyl-3-(10-methylanthracen-9-yl)-6,6-dioctyl-benzo[d][1,3]benzodioxepine

Systemtic Name: 9-methyl-3-(10-methylanthracen-9-yl)-6,6-dioctyl-benzo[d][1,3]benzodioxepine Openeye Name: 9-methyl-3-(10-methyl-9-anthryl)-6,6-dioctyl-benzo[d][1,3]benzodioxepine CAS Name: 9-methyl-3-(10-methyl-9-anthracenyl)-6,6-dioctylbenzo[d][1,3]benzodioxepin IUPAC Name: 9-methyl-3-(10-methylanthracen-9-yl)-6,6-dioctylbenzo[d][1,3]benzodioxepine Traditional Name: 9-methyl-3-(10-methyl-9-anthryl)-6,6-dioctyl-benzo[d][1,3]benzodioxepin Formula: C45H54O2 MolecularWeight: 626.90906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(OC2=C(C=CC(=C2)C)C3=C(O1)C=C(C=C3)C4=C5C=CC=CC5=C(C6=CC=CC=C64)C)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1(OC2=C(C=CC(=C2)C)C3=C(O1)C=C(C=C3)C4=C5C=CC=CC5=C(C6=CC=CC=C64)C)CCCCCCCC

InChI

InChI=1S/C45H54O2/c1-5-7-9-11-13-19-29-45(30-20-14-12-10-8-6-2)46-42-31-33(3)25-27-38(42)39-28-26-35(32-43(39)47-45)44-40-23-17-15-21-36(40)34(4)37-22-16-18-24-41(37)44/h15-18,21-28,31-32H,5-14,19-20,29-30H2,1-4H3