methyl 3-chloranyl-5-iodanyl-4-methyl-benzoate

Systemtic Name: methyl 3-chloranyl-5-iodanyl-4-methyl-benzoate Openeye Name: methyl 3-chloro-5-iodo-4-methyl-benzoate CAS Name: 3-chloro-5-iodo-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-chloro-5-iodo-4-methylbenzoate Traditional Name: 3-chloro-5-iodo-4-methyl-benzoic acid methyl ester Formula: C9H8ClIO2 MolecularWeight: 310.51609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1I)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1I)C(=O)OC)Cl

InChI

InChI=1S/C9H8ClIO2/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4H,1-2H3