3-iodosyl-4-methyl-5-phenyl-benzenesulfonate

Systemtic Name: 3-iodosyl-4-methyl-5-phenyl-benzenesulfonate Openeye Name: 3-iodosyl-4-methyl-5-phenyl-benzenesulfonate CAS Name: 3-iodosyl-4-methyl-5-phenylbenzenesulfonate IUPAC Name: 3-iodosyl-4-methyl-5-phenylbenzenesulfonate Traditional Name: 3-iodosyl-4-methyl-5-phenyl-besylate Formula: C13H10IO4S- MolecularWeight: 389.18557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C2=CC=CC=C2)S(=O)(=O)[O-])I=O

Isomeric SMILES

CC1=C(C=C(C=C1C2=CC=CC=C2)S(=O)(=O)[O-])I=O

InChI

InChI=1S/C13H11IO4S/c1-9-12(10-5-3-2-4-6-10)7-11(19(16,17)18)8-13(9)14-15/h2-8H,1H3,(H,16,17,18)/p-1