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

Systemtic Name: 1-[4-(4-pentylphenyl)phenoxy]propan-2-yl octanoate Openeye Name: [1-methyl-2-[4-(4-pentylphenyl)phenoxy]ethyl] octanoate CAS Name: octanoic acid 1-[4-(4-pentylphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-pentylphenyl)phenoxy]propan-2-yl octanoate Traditional Name: caprylic acid [2-[4-(4-amylphenyl)phenoxy]-1-methyl-ethyl] ester Formula: C28H40O3 MolecularWeight: 424.6154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(C)COC1=CC=C(C=C1)C2=CC=C(C=C2)CCCCC

Isomeric SMILES

CCCCCCCC(=O)OC(C)COC1=CC=C(C=C1)C2=CC=C(C=C2)CCCCC

InChI

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