9-methyl-3-(4-methylphenyl)-6,6-dioctyl-benzo[d][1,3]benzodioxepine

Systemtic Name: 9-methyl-3-(4-methylphenyl)-6,6-dioctyl-benzo[d][1,3]benzodioxepine Openeye Name: 9-methyl-6,6-dioctyl-3-(p-tolyl)benzo[d][1,3]benzodioxepine CAS Name: 9-methyl-3-(4-methylphenyl)-6,6-dioctylbenzo[d][1,3]benzodioxepin IUPAC Name: 9-methyl-3-(4-methylphenyl)-6,6-dioctylbenzo[d][1,3]benzodioxepine Traditional Name: 9-methyl-6,6-dioctyl-3-(p-tolyl)benzo[d][1,3]benzodioxepin Formula: C37H50O2 MolecularWeight: 526.7917

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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=CC=C(C=C4)C)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1(OC2=C(C=CC(=C2)C)C3=C(O1)C=C(C=C3)C4=CC=C(C=C4)C)CCCCCCCC

InChI

InChI=1S/C37H50O2/c1-5-7-9-11-13-15-25-37(26-16-14-12-10-8-6-2)38-35-27-30(4)19-23-33(35)34-24-22-32(28-36(34)39-37)31-20-17-29(3)18-21-31/h17-24,27-28H,5-16,25-26H2,1-4H3