methyl 4-tert-butyl-2-chloranyl-benzoate

Systemtic Name: methyl 4-tert-butyl-2-chloranyl-benzoate Openeye Name: methyl 4-tert-butyl-2-chloro-benzoate CAS Name: 4-tert-butyl-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 4-tert-butyl-2-chlorobenzoate Traditional Name: 4-tert-butyl-2-chloro-benzoic acid methyl ester Formula: C12H15ClO2 MolecularWeight: 226.6993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClO2/c1-12(2,3)8-5-6-9(10(13)7-8)11(14)15-4/h5-7H,1-4H3