4-[4-(4-octoxyphenyl)phenoxy]butan-2-yl pentanoate

Systemtic Name: 4-[4-(4-octoxyphenyl)phenoxy]butan-2-yl pentanoate Openeye Name: [1-methyl-3-[4-(4-octoxyphenyl)phenoxy]propyl] pentanoate CAS Name: pentanoic acid 4-[4-(4-octoxyphenyl)phenoxy]butan-2-yl ester IUPAC Name: 4-[4-(4-octoxyphenyl)phenoxy]butan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-3-[4-(4-octoxyphenyl)phenoxy]propyl] 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)OCCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCCC(C)OC(=O)CCCC

InChI

InChI=1S/C29H42O4/c1-4-6-8-9-10-11-22-31-27-17-13-25(14-18-27)26-15-19-28(20-16-26)32-23-21-24(3)33-29(30)12-7-5-2/h13-20,24H,4-12,21-23H2,1-3H3