1-[4-(4-pentoxyphenyl)phenyl]ethyl 6-methyloctanoate

Systemtic Name: 1-[4-(4-pentoxyphenyl)phenyl]ethyl 6-methyloctanoate Openeye Name: 1-[4-(4-pentoxyphenyl)phenyl]ethyl 6-methyloctanoate CAS Name: 6-methyloctanoic acid 1-[4-(4-pentoxyphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(4-pentoxyphenyl)phenyl]ethyl 6-methyloctanoate Traditional Name: 6-methylcaprylic acid 1-[4-(4-amoxyphenyl)phenyl]ethyl ester Formula: C28H40O3 MolecularWeight: 424.6154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C28H40O3/c1-5-7-10-21-30-27-19-17-26(18-20-27)25-15-13-24(14-16-25)23(4)31-28(29)12-9-8-11-22(3)6-2/h13-20,22-23H,5-12,21H2,1-4H3