bis(3-nitrophenyl)iodanium; propane-1-sulfonate

Systemtic Name: bis(3-nitrophenyl)iodanium; propane-1-sulfonate Openeye Name: bis(3-nitrophenyl)iodonium; propane-1-sulfonate CAS Name: bis(3-nitrophenyl)iodonium; 1-propanesulfonate IUPAC Name: bis(3-nitrophenyl)iodanium; propane-1-sulfonate Traditional Name: bis(3-nitrophenyl)iodonium; propane-1-sulfonate Formula: C15H15IN2O7S MolecularWeight: 494.25827

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)[O-].C1=CC(=CC(=C1)[I+]C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCS(=O)(=O)[O-].C1=CC(=CC(=C1)[I+]C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H8IN2O4.C3H8O3S/c16-14(17)11-5-1-3-9(7-11)13-10-4-2-6-12(8-10)15(18)19;1-2-3-7(4,5)6/h1-8H;2-3H2,1H3,(H,4,5,6)/q+1;/p-1