[(1S)-1-(4-tert-butylphenyl)-4-chloranyl-butyl] ethanoate

Systemtic Name: [(1S)-1-(4-tert-butylphenyl)-4-chloranyl-butyl] ethanoate Openeye Name: [(1S)-1-(4-tert-butylphenyl)-4-chloro-butyl] acetate CAS Name: acetic acid [(1S)-1-(4-tert-butylphenyl)-4-chlorobutyl] ester IUPAC Name: [(1S)-1-(4-tert-butylphenyl)-4-chlorobutyl] acetate Traditional Name: acetic acid [(1S)-1-(4-tert-butylphenyl)-4-chloro-butyl] ester Formula: C16H23ClO2 MolecularWeight: 282.80562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCl)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CC(=O)O[C@@H](CCCCl)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C16H23ClO2/c1-12(18)19-15(6-5-11-17)13-7-9-14(10-8-13)16(2,3)4/h7-10,15H,5-6,11H2,1-4H3/t15-/m0/s1