biphenylen-2-yliodanium; 4-methylbenzenesulfonate

Systemtic Name: biphenylen-2-yliodanium; 4-methylbenzenesulfonate Openeye Name: biphenylen-2-yliodonium; 4-methylbenzenesulfonate CAS Name: 2-biphenylenyliodonium; 4-methylbenzenesulfonate IUPAC Name: biphenylen-2-yliodanium; 4-methylbenzenesulfonate Traditional Name: biphenylen-2-yliodonium tosylate Formula: C19H15IO3S MolecularWeight: 450.29007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C3=C2C=C(C=C3)[IH+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C3=C2C=C(C=C3)[IH+]

InChI

InChI=1S/C12H8I.C7H8O3S/c13-8-5-6-11-9-3-1-2-4-10(9)12(11)7-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,13H;2-5H,1H3,(H,8,9,10)/q+1;/p-1