1-[4-(4-octylphenyl)phenoxy]propan-2-yl hexanoate

Systemtic Name: 1-[4-(4-octylphenyl)phenoxy]propan-2-yl hexanoate Openeye Name: [1-methyl-2-[4-(4-octylphenyl)phenoxy]ethyl] hexanoate CAS Name: hexanoic acid 1-[4-(4-octylphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-octylphenyl)phenoxy]propan-2-yl hexanoate Traditional Name: hexanoic acid [1-methyl-2-[4-(4-octylphenyl)phenoxy]ethyl] ester Formula: C29H42O3 MolecularWeight: 438.64198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCCC

InChI

InChI=1S/C29H42O3/c1-4-6-8-9-10-12-13-25-15-17-26(18-16-25)27-19-21-28(22-20-27)31-23-24(3)32-29(30)14-11-7-5-2/h15-22,24H,4-14,23H2,1-3H3