methyl 4-[2-iodanyl-4-(4-methylphenyl)sulfonyl-phenyl]benzoate

Systemtic Name: methyl 4-[2-iodanyl-4-(4-methylphenyl)sulfonyl-phenyl]benzoate Openeye Name: methyl 4-[2-iodo-4-(p-tolylsulfonyl)phenyl]benzoate CAS Name: 4-[2-iodo-4-(4-methylphenyl)sulfonylphenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-iodo-4-(4-methylphenyl)sulfonylphenyl]benzoate Traditional Name: 4-(2-iodo-4-tosyl-phenyl)benzoic acid methyl ester Formula: C21H17IO4S MolecularWeight: 492.32675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)OC)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)OC)I

InChI

InChI=1S/C21H17IO4S/c1-14-3-9-17(10-4-14)27(24,25)18-11-12-19(20(22)13-18)15-5-7-16(8-6-15)21(23)26-2/h3-13H,1-2H3