3,9-dimethyl-5,5,7,7-tetraoctyl-benzo[d][2]benzoxepine

Systemtic Name: 3,9-dimethyl-5,5,7,7-tetraoctyl-benzo[d][2]benzoxepine Openeye Name: 3,9-dimethyl-5,5,7,7-tetraoctyl-benzo[d][2]benzoxepine CAS Name: 3,9-dimethyl-5,5,7,7-tetraoctylbenzo[d][2]benzoxepin IUPAC Name: 3,9-dimethyl-5,5,7,7-tetraoctylbenzo[d][2]benzoxepine Traditional Name: 3,9-dimethyl-5,5,7,7-tetraoctyl-benzo[d][2]benzoxepin Formula: C48H80O MolecularWeight: 673.1482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H80O/c1-7-11-15-19-23-27-35-47(36-28-24-20-16-12-8-2)45-39-41(5)31-33-43(45)44-34-32-42(6)40-46(44)48(49-47,37-29-25-21-17-13-9-3)38-30-26-22-18-14-10-4/h31-34,39-40H,7-30,35-38H2,1-6H3