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

Systemtic Name: 1-[4-(4-octylphenyl)phenyl]ethyl 2-methylpentanoate Openeye Name: 1-[4-(4-octylphenyl)phenyl]ethyl 2-methylpentanoate CAS Name: 2-methylpentanoic acid 1-[4-(4-octylphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(4-octylphenyl)phenyl]ethyl 2-methylpentanoate Traditional Name: 2-methylvaleric acid 1-[4-(4-octylphenyl)phenyl]ethyl ester Formula: C28H40O2 MolecularWeight: 408.616

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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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C28H40O2/c1-5-7-8-9-10-11-13-24-14-16-26(17-15-24)27-20-18-25(19-21-27)23(4)30-28(29)22(3)12-6-2/h14-23H,5-13H2,1-4H3