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

Systemtic Name: 1-[4-(4-octylphenyl)phenoxy]propan-2-yl pentanoate Openeye Name: [1-methyl-2-[4-(4-octylphenyl)phenoxy]ethyl] pentanoate CAS Name: pentanoic acid 1-[4-(4-octylphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-octylphenyl)phenoxy]propan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[4-(4-octylphenyl)phenoxy]ethyl] ester Formula: C28H40O3 MolecularWeight: 424.6154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCC

InChI

InChI=1S/C28H40O3/c1-4-6-8-9-10-11-12-24-14-16-25(17-15-24)26-18-20-27(21-19-26)30-22-23(3)31-28(29)13-7-5-2/h14-21,23H,4-13,22H2,1-3H3