1-[4-(4-octylphenyl)phenyl]ethyl 3-methylpentanoate

Systemtic Name: 1-[4-(4-octylphenyl)phenyl]ethyl 3-methylpentanoate Openeye Name: 1-[4-(4-octylphenyl)phenyl]ethyl 3-methylpentanoate CAS Name: 3-methylpentanoic acid 1-[4-(4-octylphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(4-octylphenyl)phenyl]ethyl 3-methylpentanoate Traditional Name: 3-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)CC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C28H40O2/c1-5-7-8-9-10-11-12-24-13-15-26(16-14-24)27-19-17-25(18-20-27)23(4)30-28(29)21-22(3)6-2/h13-20,22-23H,5-12,21H2,1-4H3