9-methyl-3-(4-methylphenyl)-5,5,7,7-tetraoctyl-benzo[d][2]benzoxepine

Systemtic Name: 9-methyl-3-(4-methylphenyl)-5,5,7,7-tetraoctyl-benzo[d][2]benzoxepine Openeye Name: 9-methyl-5,5,7,7-tetraoctyl-3-(p-tolyl)benzo[d][2]benzoxepine CAS Name: 9-methyl-3-(4-methylphenyl)-5,5,7,7-tetraoctylbenzo[d][2]benzoxepin IUPAC Name: 9-methyl-3-(4-methylphenyl)-5,5,7,7-tetraoctylbenzo[d][2]benzoxepine Traditional Name: 9-methyl-5,5,7,7-tetraoctyl-3-(p-tolyl)benzo[d][2]benzoxepin Formula: C54H84O MolecularWeight: 749.24416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C54H84O/c1-7-11-15-19-23-27-39-53(40-28-24-20-16-12-8-2)51-43-46(6)33-37-49(51)50-38-36-48(47-34-31-45(5)32-35-47)44-52(50)54(55-53,41-29-25-21-17-13-9-3)42-30-26-22-18-14-10-4/h31-38,43-44H,7-30,39-42H2,1-6H3