9-methyl-3-(10-methylanthracen-9-yl)-5,5,7,7-tetraoctyl-benzo[d][2]benzoxepine

Systemtic Name: 9-methyl-3-(10-methylanthracen-9-yl)-5,5,7,7-tetraoctyl-benzo[d][2]benzoxepine Openeye Name: 9-methyl-3-(10-methyl-9-anthryl)-5,5,7,7-tetraoctyl-benzo[d][2]benzoxepine CAS Name: 9-methyl-3-(10-methyl-9-anthracenyl)-5,5,7,7-tetraoctylbenzo[d][2]benzoxepin IUPAC Name: 9-methyl-3-(10-methylanthracen-9-yl)-5,5,7,7-tetraoctylbenzo[d][2]benzoxepine Traditional Name: 9-methyl-3-(10-methyl-9-anthryl)-5,5,7,7-tetraoctyl-benzo[d][2]benzoxepin Formula: C62H88O MolecularWeight: 849.36152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C62H88O/c1-7-11-15-19-23-31-43-61(44-32-24-20-16-12-8-2)58-47-49(5)39-41-54(58)55-42-40-51(60-56-37-29-27-35-52(56)50(6)53-36-28-30-38-57(53)60)48-59(55)62(63-61,45-33-25-21-17-13-9-3)46-34-26-22-18-14-10-4/h27-30,35-42,47-48H,7-26,31-34,43-46H2,1-6H3