1-[4-(4-octoxyphenyl)phenyl]ethyl hexanoate

Systemtic Name: 1-[4-(4-octoxyphenyl)phenyl]ethyl hexanoate Openeye Name: 1-[4-(4-octoxyphenyl)phenyl]ethyl hexanoate CAS Name: hexanoic acid 1-[4-(4-octoxyphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(4-octoxyphenyl)phenyl]ethyl hexanoate Traditional Name: hexanoic acid 1-[4-(4-octoxyphenyl)phenyl]ethyl ester Formula: C28H40O3 MolecularWeight: 424.6154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCCCC

InChI

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