1-[4-(4-hexoxyphenyl)phenoxy]propan-2-yl hexanoate

Systemtic Name: 1-[4-(4-hexoxyphenyl)phenoxy]propan-2-yl hexanoate Openeye Name: [2-[4-(4-hexoxyphenyl)phenoxy]-1-methyl-ethyl] hexanoate CAS Name: hexanoic acid 1-[4-(4-hexoxyphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-hexoxyphenyl)phenoxy]propan-2-yl hexanoate Traditional Name: hexanoic acid [2-[4-(4-hexoxyphenyl)phenoxy]-1-methyl-ethyl] ester Formula: C27H38O4 MolecularWeight: 426.58822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCCC

InChI

InChI=1S/C27H38O4/c1-4-6-8-10-20-29-25-16-12-23(13-17-25)24-14-18-26(19-15-24)30-21-22(3)31-27(28)11-9-7-5-2/h12-19,22H,4-11,20-21H2,1-3H3