(4-chloranyl-3-methyl-phenyl) 4-(4-tert-butylphenoxy)butanoate

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 4-(4-tert-butylphenoxy)butanoate Openeye Name: (4-chloro-3-methyl-phenyl) 4-(4-tert-butylphenoxy)butanoate CAS Name: 4-(4-tert-butylphenoxy)butanoic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 4-(4-tert-butylphenoxy)butanoate Traditional Name: 4-(4-tert-butylphenoxy)butyric acid (4-chloro-3-methyl-phenyl) ester Formula: C21H25ClO3 MolecularWeight: 360.8744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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