[4-[(4-octylphenyl)diazenyl]phenyl] 2-butoxypropanoate

Systemtic Name: [4-[(4-octylphenyl)diazenyl]phenyl] 2-butoxypropanoate Openeye Name: [4-(4-octylphenyl)azophenyl] 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid [4-(4-octylphenyl)azophenyl] ester IUPAC Name: [4-[(4-octylphenyl)diazenyl]phenyl] 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid [4-(4-octylphenyl)azophenyl] ester Formula: C27H38N2O3 MolecularWeight: 438.60222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O3/c1-4-6-8-9-10-11-12-23-13-15-24(16-14-23)28-29-25-17-19-26(20-18-25)32-27(30)22(3)31-21-7-5-2/h13-20,22H,4-12,21H2,1-3H3