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

Systemtic Name: 1-[4-(4-hexylphenyl)phenoxy]propan-2-yl 5-oxidanylidenehexanoate Openeye Name: [2-[4-(4-hexylphenyl)phenoxy]-1-methyl-ethyl] 5-oxohexanoate CAS Name: 5-oxohexanoic acid 1-[4-(4-hexylphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-hexylphenyl)phenoxy]propan-2-yl 5-oxohexanoate Traditional Name: 5-ketohexanoic acid [2-[4-(4-hexylphenyl)phenoxy]-1-methyl-ethyl] ester Formula: C27H36O4 MolecularWeight: 424.57234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCC(=O)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCC(=O)C

InChI

InChI=1S/C27H36O4/c1-4-5-6-7-10-23-12-14-24(15-13-23)25-16-18-26(19-17-25)30-20-22(3)31-27(29)11-8-9-21(2)28/h12-19,22H,4-11,20H2,1-3H3