methyl 4-[2-[4-[2-(4-decylphenyl)ethynyl]-5-methyl-2-nitro-phenyl]ethynyl]benzoate

Systemtic Name: methyl 4-[2-[4-[2-(4-decylphenyl)ethynyl]-5-methyl-2-nitro-phenyl]ethynyl]benzoate Openeye Name: methyl 4-[2-[4-[2-(4-decylphenyl)ethynyl]-5-methyl-2-nitro-phenyl]ethynyl]benzoate CAS Name: 4-[2-[4-[2-(4-decylphenyl)ethynyl]-5-methyl-2-nitrophenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-[2-(4-decylphenyl)ethynyl]-5-methyl-2-nitrophenyl]ethynyl]benzoate Traditional Name: 4-[2-[4-[2-(4-decylphenyl)ethynyl]-5-methyl-2-nitro-phenyl]ethynyl]benzoic acid methyl ester Formula: C35H37NO4 MolecularWeight: 535.67258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C#CC2=C(C=C(C(=C2)[N+](=O)[O-])C#CC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C#CC2=C(C=C(C(=C2)[N+](=O)[O-])C#CC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C35H37NO4/c1-4-5-6-7-8-9-10-11-12-28-13-15-29(16-14-28)19-23-32-26-34(36(38)39)33(25-27(32)2)24-20-30-17-21-31(22-18-30)35(37)40-3/h13-18,21-22,25-26H,4-12H2,1-3H3