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

Systemtic Name: 1-[4-(4-octoxyphenyl)phenyl]ethyl 6-methyloctanoate Openeye Name: 1-[4-(4-octoxyphenyl)phenyl]ethyl 6-methyloctanoate CAS Name: 6-methyloctanoic acid 1-[4-(4-octoxyphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(4-octoxyphenyl)phenyl]ethyl 6-methyloctanoate Traditional Name: 6-methylcaprylic acid 1-[4-(4-octoxyphenyl)phenyl]ethyl ester Formula: C31H46O3 MolecularWeight: 466.69514

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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(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C31H46O3/c1-5-7-8-9-10-13-24-33-30-22-20-29(21-23-30)28-18-16-27(17-19-28)26(4)34-31(32)15-12-11-14-25(3)6-2/h16-23,25-26H,5-15,24H2,1-4H3