methyl 2-chloranyl-4,5-dimethyl-benzoate

Systemtic Name: methyl 2-chloranyl-4,5-dimethyl-benzoate Openeye Name: methyl 2-chloro-4,5-dimethyl-benzoate CAS Name: 2-chloro-4,5-dimethylbenzoic acid methyl ester IUPAC Name: methyl 2-chloro-4,5-dimethylbenzoate Traditional Name: 2-chloro-4,5-dimethyl-benzoic acid methyl ester Formula: C10H11ClO2 MolecularWeight: 198.64614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11ClO2/c1-6-4-8(10(12)13-3)9(11)5-7(6)2/h4-5H,1-3H3