(2-iodanyl-4-nitro-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (2-iodanyl-4-nitro-phenyl) 4-methylbenzenesulfonate Openeye Name: (2-iodo-4-nitro-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-iodo-4-nitrophenyl) ester IUPAC Name: (2-iodo-4-nitrophenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-iodo-4-nitro-phenyl) ester Formula: C13H10INO5S MolecularWeight: 419.19167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])I

InChI

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