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

Systemtic Name: 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl butanoate Openeye Name: [1-methyl-2-[4-(4-octoxyphenyl)phenoxy]ethyl] butanoate CAS Name: butanoic acid 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl butanoate Traditional Name: butyric acid [1-methyl-2-[4-(4-octoxyphenyl)phenoxy]ethyl] ester Formula: C27H38O4 MolecularWeight: 426.58822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38O4/c1-4-6-7-8-9-10-20-29-25-16-12-23(13-17-25)24-14-18-26(19-15-24)30-21-22(3)31-27(28)11-5-2/h12-19,22H,4-11,20-21H2,1-3H3