1-[4-(4-octylphenyl)phenyl]ethyl 2-methylbutanoate

Systemtic Name: 1-[4-(4-octylphenyl)phenyl]ethyl 2-methylbutanoate Openeye Name: 1-[4-(4-octylphenyl)phenyl]ethyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid 1-[4-(4-octylphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(4-octylphenyl)phenyl]ethyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid 1-[4-(4-octylphenyl)phenyl]ethyl ester Formula: C27H38O2 MolecularWeight: 394.58942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38O2/c1-5-7-8-9-10-11-12-23-13-15-25(16-14-23)26-19-17-24(18-20-26)22(4)29-27(28)21(3)6-2/h13-22H,5-12H2,1-4H3