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

Systemtic Name: [(2S)-1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl] pentanoate Openeye Name: [(1S)-1-methyl-2-[4-(4-octoxyphenyl)phenoxy]ethyl] pentanoate CAS Name: pentanoic acid [(2S)-1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl] ester IUPAC Name: [(2S)-1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl] pentanoate Traditional Name: valeric acid [(1S)-1-methyl-2-[4-(4-octoxyphenyl)phenoxy]ethyl] 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)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC[C@H](C)OC(=O)CCCC

InChI

InChI=1S/C28H40O4/c1-4-6-8-9-10-11-21-30-26-17-13-24(14-18-26)25-15-19-27(20-16-25)31-22-23(3)32-28(29)12-7-5-2/h13-20,23H,4-12,21-22H2,1-3H3/t23-/m0/s1