5-[[3,5-bis(3-nitrophenyl)phenoxy]methyl]-1,2,3-tridodecoxy-benzene

Systemtic Name: 5-[[3,5-bis(3-nitrophenyl)phenoxy]methyl]-1,2,3-tridodecoxy-benzene Openeye Name: 5-[[3,5-bis(3-nitrophenyl)phenoxy]methyl]-1,2,3-tridodecoxy-benzene CAS Name: 5-[[3,5-bis(3-nitrophenyl)phenoxy]methyl]-1,2,3-tridodecoxybenzene IUPAC Name: 5-[[3,5-bis(3-nitrophenyl)phenoxy]methyl]-1,2,3-tridodecoxybenzene Traditional Name: 5-[[3,5-bis(3-nitrophenyl)phenoxy]methyl]-1,2,3-trilauryloxy-benzene Formula: C61H90N2O8 MolecularWeight: 979.3759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)COC2=CC(=CC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)COC2=CC(=CC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C61H90N2O8/c1-4-7-10-13-16-19-22-25-28-31-40-68-59-43-51(50-71-58-48-54(52-36-34-38-56(46-52)62(64)65)45-55(49-58)53-37-35-39-57(47-53)63(66)67)44-60(69-41-32-29-26-23-20-17-14-11-8-5-2)61(59)70-42-33-30-27-24-21-18-15-12-9-6-3/h34-39,43-49H,4-33,40-42,50H2,1-3H3