4-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-1-(2-methylbutoxy)-2-nitro-benzene

Systemtic Name: 4-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-1-(2-methylbutoxy)-2-nitro-benzene Openeye Name: 4-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-1-(2-methylbutoxy)-2-nitro-benzene CAS Name: 4-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-1-(2-methylbutoxy)-2-nitrobenzene IUPAC Name: 4-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-1-(2-methylbutoxy)-2-nitrobenzene Traditional Name: 4-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-1-(2-methylbutoxy)-2-nitro-benzene Formula: C35H43NO4 MolecularWeight: 541.72022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=CC(=C(C=C3)OCC(C)CC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=CC(=C(C=C3)OCC(C)CC)[N+](=O)[O-]

InChI

InChI=1S/C35H43NO4/c1-4-6-7-8-9-10-11-12-25-39-33-22-20-32(21-23-33)31-18-15-29(16-19-31)13-14-30-17-24-35(34(26-30)36(37)38)40-27-28(3)5-2/h15-24,26,28H,4-12,25,27H2,1-3H3