4-methylbenzenesulfonate; phenyliodanium

Systemtic Name: 4-methylbenzenesulfonate; phenyliodanium Openeye Name: 4-methylbenzenesulfonate; phenyliodonium CAS Name: 4-methylbenzenesulfonate; phenyliodonium IUPAC Name: 4-methylbenzenesulfonate; phenyliodanium Traditional Name: phenyliodonium tosylate Formula: C13H13IO3S MolecularWeight: 376.20999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H6I/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);1-5,7H/q;+1/p-1