[(2R)-pentan-2-yl] 4-(4-octoxyphenyl)benzoate

Systemtic Name: [(2R)-pentan-2-yl] 4-(4-octoxyphenyl)benzoate Openeye Name: [(1R)-1-methylbutyl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid [(2R)-pentan-2-yl] ester IUPAC Name: [(2R)-pentan-2-yl] 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [(1R)-1-methylbutyl] ester Formula: C26H36O3 MolecularWeight: 396.56224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O[C@H](C)CCC

InChI

InChI=1S/C26H36O3/c1-4-6-7-8-9-10-20-28-25-18-16-23(17-19-25)22-12-14-24(15-13-22)26(27)29-21(3)11-5-2/h12-19,21H,4-11,20H2,1-3H3/t21-/m1/s1