(2-tert-butyl-4-methyl-phenyl) 4-(4-chloranylphenoxy)butanoate

Systemtic Name: (2-tert-butyl-4-methyl-phenyl) 4-(4-chloranylphenoxy)butanoate Openeye Name: (2-tert-butyl-4-methyl-phenyl) 4-(4-chlorophenoxy)butanoate CAS Name: 4-(4-chlorophenoxy)butanoic acid (2-tert-butyl-4-methylphenyl) ester IUPAC Name: (2-tert-butyl-4-methylphenyl) 4-(4-chlorophenoxy)butanoate Traditional Name: 4-(4-chlorophenoxy)butyric acid (2-tert-butyl-4-methyl-phenyl) ester Formula: C21H25ClO3 MolecularWeight: 360.8744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)CCCOC2=CC=C(C=C2)Cl)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)CCCOC2=CC=C(C=C2)Cl)C(C)(C)C

InChI

InChI=1S/C21H25ClO3/c1-15-7-12-19(18(14-15)21(2,3)4)25-20(23)6-5-13-24-17-10-8-16(22)9-11-17/h7-12,14H,5-6,13H2,1-4H3