iodanylbenzene; 4-methylbenzenesulfonate

Systemtic Name: iodanylbenzene; 4-methylbenzenesulfonate Openeye Name: iodobenzene; 4-methylbenzenesulfonate CAS Name: iodobenzene; 4-methylbenzenesulfonate IUPAC Name: iodobenzene; 4-methylbenzenesulfonate Traditional Name: iodobenzene tosylate Formula: C13H12IO3S- MolecularWeight: 375.20205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H5I/c1-6-2-4-7(5-3-6)11(8,9)10;7-6-4-2-1-3-5-6/h2-5H,1H3,(H,8,9,10);1-5H/p-1