1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl 5-oxidanylidenehexanoate

Systemtic Name: 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl 5-oxidanylidenehexanoate Openeye Name: [1-methyl-2-[4-(4-octoxyphenyl)phenoxy]ethyl] 5-oxohexanoate CAS Name: 5-oxohexanoic acid 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl 5-oxohexanoate Traditional Name: 5-ketohexanoic acid [1-methyl-2-[4-(4-octoxyphenyl)phenoxy]ethyl] ester Formula: C29H40O5 MolecularWeight: 468.6249

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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(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C29H40O5/c1-4-5-6-7-8-9-21-32-27-17-13-25(14-18-27)26-15-19-28(20-16-26)33-22-24(3)34-29(31)12-10-11-23(2)30/h13-20,24H,4-12,21-22H2,1-3H3