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

Systemtic Name: 1-[4-(4-octylphenyl)phenoxy]propan-2-yl butanoate Openeye Name: [1-methyl-2-[4-(4-octylphenyl)phenoxy]ethyl] butanoate CAS Name: butanoic acid 1-[4-(4-octylphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-octylphenyl)phenoxy]propan-2-yl butanoate Traditional Name: butyric acid [1-methyl-2-[4-(4-octylphenyl)phenoxy]ethyl] ester Formula: C27H38O3 MolecularWeight: 410.58882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38O3/c1-4-6-7-8-9-10-12-23-13-15-24(16-14-23)25-17-19-26(20-18-25)29-21-22(3)30-27(28)11-5-2/h13-20,22H,4-12,21H2,1-3H3