ethynesulfonate; phenyliodanium

Systemtic Name: ethynesulfonate; phenyliodanium Openeye Name: ethynesulfonate; phenyliodonium CAS Name: ethynesulfonate; phenyliodonium IUPAC Name: ethynesulfonate; phenyliodanium Traditional Name: ethynesulfonate; phenyliodonium Formula: C16H14I2O6S2 MolecularWeight: 620.2177

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Descriptors Computed from Structure

Canonical SMILES:

C#CS(=O)(=O)[O-].C#CS(=O)(=O)[O-].C1=CC=C(C=C1)[IH+].C1=CC=C(C=C1)[IH+]

Isomeric SMILES

C#CS(=O)(=O)[O-].C#CS(=O)(=O)[O-].C1=CC=C(C=C1)[IH+].C1=CC=C(C=C1)[IH+]

InChI

InChI=1S/2C6H6I.2C2H2O3S/c2*7-6-4-2-1-3-5-6;2*1-2-6(3,4)5/h2*1-5,7H;2*1H,(H,3,4,5)/q2*+1;;/p-2