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

Systemtic Name: 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl hexanoate Openeye Name: [1-methyl-2-[4-(4-octoxyphenyl)phenoxy]ethyl] hexanoate CAS Name: hexanoic acid 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl hexanoate Traditional Name: hexanoic acid [1-methyl-2-[4-(4-octoxyphenyl)phenoxy]ethyl] ester Formula: C29H42O4 MolecularWeight: 454.64138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCCC

InChI

InChI=1S/C29H42O4/c1-4-6-8-9-10-12-22-31-27-18-14-25(15-19-27)26-16-20-28(21-17-26)32-23-24(3)33-29(30)13-11-7-5-2/h14-21,24H,4-13,22-23H2,1-3H3