(4-nitrophenyl) 3,4,5-tridodecoxybenzoate

Systemtic Name: (4-nitrophenyl) 3,4,5-tridodecoxybenzoate Openeye Name: (4-nitrophenyl) 3,4,5-tridodecoxybenzoate CAS Name: 3,4,5-tridodecoxybenzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3,4,5-tridodecoxybenzoate Traditional Name: 3,4,5-trilauryloxybenzoic acid (4-nitrophenyl) ester Formula: C49H81NO7 MolecularWeight: 796.16994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C49H81NO7/c1-4-7-10-13-16-19-22-25-28-31-38-54-46-41-43(49(51)57-45-36-34-44(35-37-45)50(52)53)42-47(55-39-32-29-26-23-20-17-14-11-8-5-2)48(46)56-40-33-30-27-24-21-18-15-12-9-6-3/h34-37,41-42H,4-33,38-40H2,1-3H3