4-oxidanylhexan-2-yl 2-[4-[(4-hexylphenyl)diazenyl]phenoxy]undecanoate

Systemtic Name: 4-oxidanylhexan-2-yl 2-[4-[(4-hexylphenyl)diazenyl]phenoxy]undecanoate Openeye Name: (3-hydroxy-1-methyl-pentyl) 2-[4-(4-hexylphenyl)azophenoxy]undecanoate CAS Name: 2-[4-(4-hexylphenyl)azophenoxy]undecanoic acid 4-hydroxyhexan-2-yl ester IUPAC Name: 4-hydroxyhexan-2-yl 2-[4-[(4-hexylphenyl)diazenyl]phenoxy]undecanoate Traditional Name: 2-[4-(4-hexylphenyl)azophenoxy]undecanoic acid (3-hydroxy-1-methyl-pentyl) ester Formula: C35H54N2O4 MolecularWeight: 566.81426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(=O)OC(C)CC(CC)O)OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)CCCCCC

Isomeric SMILES

CCCCCCCCCC(C(=O)OC(C)CC(CC)O)OC1=CC=C(C=C1)N=NC2=CC=C(C=C2)CCCCCC

InChI

InChI=1S/C35H54N2O4/c1-5-8-10-12-13-14-16-18-34(35(39)40-28(4)27-32(38)7-3)41-33-25-23-31(24-26-33)37-36-30-21-19-29(20-22-30)17-15-11-9-6-2/h19-26,28,32,34,38H,5-18,27H2,1-4H3