(3-octyl-4-phenyldiazenyl-phenyl) 2-butoxypropanoate

Systemtic Name: (3-octyl-4-phenyldiazenyl-phenyl) 2-butoxypropanoate Openeye Name: (3-octyl-4-phenylazo-phenyl) 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid (3-octyl-4-phenyldiazenylphenyl) ester IUPAC Name: (3-octyl-4-phenyldiazenylphenyl) 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid (3-octyl-4-phenylazo-phenyl) ester Formula: C27H38N2O3 MolecularWeight: 438.60222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC(=C1)OC(=O)C(C)OCCCC)N=NC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=C(C=CC(=C1)OC(=O)C(C)OCCCC)N=NC2=CC=CC=C2

InChI

InChI=1S/C27H38N2O3/c1-4-6-8-9-10-12-15-23-21-25(32-27(30)22(3)31-20-7-5-2)18-19-26(23)29-28-24-16-13-11-14-17-24/h11,13-14,16-19,21-22H,4-10,12,15,20H2,1-3H3