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

Systemtic Name: 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl 4-oxidanylidenepentanoate Openeye Name: [1-methyl-2-[4-(4-octoxyphenyl)phenoxy]ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl 4-oxopentanoate Traditional Name: 4-ketovaleric acid [1-methyl-2-[4-(4-octoxyphenyl)phenoxy]ethyl] ester Formula: C28H38O5 MolecularWeight: 454.59832

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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(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H38O5/c1-4-5-6-7-8-9-20-31-26-15-11-24(12-16-26)25-13-17-27(18-14-25)32-21-23(3)33-28(30)19-10-22(2)29/h11-18,23H,4-10,19-21H2,1-3H3