biphenylen-2-yliodanium; octane-1-sulfonate

Systemtic Name: biphenylen-2-yliodanium; octane-1-sulfonate Openeye Name: biphenylen-2-yliodonium; octane-1-sulfonate CAS Name: 2-biphenylenyliodonium; 1-octanesulfonate IUPAC Name: biphenylen-2-yliodanium; octane-1-sulfonate Traditional Name: biphenylen-2-yliodonium; octane-1-sulfonate Formula: C20H25IO3S MolecularWeight: 472.38017

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8I.C8H18O3S/c13-8-5-6-11-9-3-1-2-4-10(9)12(11)7-8;1-2-3-4-5-6-7-8-12(9,10)11/h1-7,13H;2-8H2,1H3,(H,9,10,11)/q+1;/p-1