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

Systemtic Name: 1-[4-(4-pentylphenyl)phenoxy]propan-2-yl hexanoate Openeye Name: [1-methyl-2-[4-(4-pentylphenyl)phenoxy]ethyl] hexanoate CAS Name: hexanoic acid 1-[4-(4-pentylphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-pentylphenyl)phenoxy]propan-2-yl hexanoate Traditional Name: hexanoic acid [2-[4-(4-amylphenyl)phenoxy]-1-methyl-ethyl] ester Formula: C26H36O3 MolecularWeight: 396.56224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCCC

InChI

InChI=1S/C26H36O3/c1-4-6-8-10-22-12-14-23(15-13-22)24-16-18-25(19-17-24)28-20-21(3)29-26(27)11-9-7-5-2/h12-19,21H,4-11,20H2,1-3H3