iodosylbenzene; 4-methylbenzenesulfonate

Systemtic Name: iodosylbenzene; 4-methylbenzenesulfonate Openeye Name: iodosylbenzene; 4-methylbenzenesulfonate CAS Name: iodosylbenzene; 4-methylbenzenesulfonate IUPAC Name: iodosylbenzene; 4-methylbenzenesulfonate Traditional Name: iodosylbenzene ditosylate Formula: C20H19IO7S2-2 MolecularWeight: 562.39513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)I=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)I=O

InChI

InChI=1S/2C7H8O3S.C6H5IO/c2*1-6-2-4-7(5-3-6)11(8,9)10;8-7-6-4-2-1-3-5-6/h2*2-5H,1H3,(H,8,9,10);1-5H/p-2