5-[4-(4-heptylphenyl)phenyl]pentan-2-yl ethanoate

Systemtic Name: 5-[4-(4-heptylphenyl)phenyl]pentan-2-yl ethanoate Openeye Name: [4-[4-(4-heptylphenyl)phenyl]-1-methyl-butyl] acetate CAS Name: acetic acid 5-[4-(4-heptylphenyl)phenyl]pentan-2-yl ester IUPAC Name: 5-[4-(4-heptylphenyl)phenyl]pentan-2-yl acetate Traditional Name: acetic acid [4-[4-(4-heptylphenyl)phenyl]-1-methyl-butyl] ester Formula: C26H36O2 MolecularWeight: 380.56284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(C)OC(=O)C

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(C)OC(=O)C

InChI

InChI=1S/C26H36O2/c1-4-5-6-7-8-11-23-13-17-25(18-14-23)26-19-15-24(16-20-26)12-9-10-21(2)28-22(3)27/h13-21H,4-12H2,1-3H3