(3-iodanylphenyl) 2-methyl-3-nitro-benzenesulfonate

Systemtic Name: (3-iodanylphenyl) 2-methyl-3-nitro-benzenesulfonate Openeye Name: (3-iodophenyl) 2-methyl-3-nitro-benzenesulfonate CAS Name: 2-methyl-3-nitrobenzenesulfonic acid (3-iodophenyl) ester IUPAC Name: (3-iodophenyl) 2-methyl-3-nitrobenzenesulfonate Traditional Name: 2-methyl-3-nitro-benzenesulfonic acid (3-iodophenyl) ester Formula: C13H10INO5S MolecularWeight: 419.19167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)OC2=CC(=CC=C2)I)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)OC2=CC(=CC=C2)I)[N+](=O)[O-]

InChI

InChI=1S/C13H10INO5S/c1-9-12(15(16)17)6-3-7-13(9)21(18,19)20-11-5-2-4-10(14)8-11/h2-8H,1H3