tert-butyl 3-chloranyl-4-methyl-benzoate

Systemtic Name: tert-butyl 3-chloranyl-4-methyl-benzoate Openeye Name: tert-butyl 3-chloro-4-methyl-benzoate CAS Name: 3-chloro-4-methylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-chloro-4-methylbenzoate Traditional Name: 3-chloro-4-methyl-benzoic acid tert-butyl ester Formula: C12H15ClO2 MolecularWeight: 226.6993

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)(C)C)Cl

InChI

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