iodanylbenzene; (4-nitrophenyl) 4-methylbenzenesulfonate

Systemtic Name: iodanylbenzene; (4-nitrophenyl) 4-methylbenzenesulfonate Openeye Name: iodobenzene; (4-nitrophenyl) 4-methylbenzenesulfonate CAS Name: iodobenzene; 4-methylbenzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: iodobenzene; (4-nitrophenyl) 4-methylbenzenesulfonate Traditional Name: iodobenzene; 4-methylbenzenesulfonic acid (4-nitrophenyl) ester Formula: C19H16INO5S MolecularWeight: 497.30351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO5S.C6H5I/c1-10-2-8-13(9-3-10)20(17,18)19-12-6-4-11(5-7-12)14(15)16;7-6-4-2-1-3-5-6/h2-9H,1H3;1-5H