methyl 3-iodanyl-2-methyl-6-methylsulfanyl-benzoate

Systemtic Name: methyl 3-iodanyl-2-methyl-6-methylsulfanyl-benzoate Openeye Name: methyl 3-iodo-2-methyl-6-methylsulfanyl-benzoate CAS Name: 3-iodo-2-methyl-6-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 3-iodo-2-methyl-6-methylsulfanylbenzoate Traditional Name: 3-iodo-2-methyl-6-(methylthio)benzoic acid methyl ester Formula: C10H11IO2S MolecularWeight: 322.16261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)OC)SC)I

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)OC)SC)I

InChI

InChI=1S/C10H11IO2S/c1-6-7(11)4-5-8(14-3)9(6)10(12)13-2/h4-5H,1-3H3