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

Systemtic Name: 4-[4-(4-octoxyphenyl)phenoxy]butan-2-yl butanoate Openeye Name: [1-methyl-3-[4-(4-octoxyphenyl)phenoxy]propyl] butanoate CAS Name: butanoic acid 4-[4-(4-octoxyphenyl)phenoxy]butan-2-yl ester IUPAC Name: 4-[4-(4-octoxyphenyl)phenoxy]butan-2-yl butanoate Traditional Name: butyric acid [1-methyl-3-[4-(4-octoxyphenyl)phenoxy]propyl] ester Formula: C28H40O4 MolecularWeight: 440.6148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40O4/c1-4-6-7-8-9-10-21-30-26-16-12-24(13-17-26)25-14-18-27(19-15-25)31-22-20-23(3)32-28(29)11-5-2/h12-19,23H,4-11,20-22H2,1-3H3