benzenesulfonate; biphenylen-2-yliodanium

Systemtic Name: benzenesulfonate; biphenylen-2-yliodanium Openeye Name: benzenesulfonate; biphenylen-2-yliodonium CAS Name: benzenesulfonate; 2-biphenylenyliodonium IUPAC Name: benzenesulfonate; biphenylen-2-yliodanium Traditional Name: biphenylen-2-yliodonium besylate Formula: C18H13IO3S MolecularWeight: 436.26349

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C3=C2C=C(C=C3)[IH+]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C3=C2C=C(C=C3)[IH+]

InChI

InChI=1S/C12H8I.C6H6O3S/c13-8-5-6-11-9-3-1-2-4-10(9)12(11)7-8;7-10(8,9)6-4-2-1-3-5-6/h1-7,13H;1-5H,(H,7,8,9)/q+1;/p-1