biphenylen-2-yliodanium; pyrene-1-sulfonate

Systemtic Name: biphenylen-2-yliodanium; pyrene-1-sulfonate Openeye Name: biphenylen-2-yliodonium; pyrene-1-sulfonate CAS Name: 2-biphenylenyliodonium; 1-pyrenesulfonate IUPAC Name: biphenylen-2-yliodanium; pyrene-1-sulfonate Traditional Name: biphenylen-2-yliodonium; pyrene-1-sulfonate Formula: C28H17IO3S MolecularWeight: 560.40225

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C2C=C(C=C3)[IH+].C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C2C=C(C=C3)[IH+].C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C16H10O3S.C12H8I/c17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;13-8-5-6-11-9-3-1-2-4-10(9)12(11)7-8/h1-9H,(H,17,18,19);1-7,13H/q;+1/p-1