bis(3-nitrophenyl)iodanium; 2-dodecylbenzenesulfonate

Systemtic Name: bis(3-nitrophenyl)iodanium; 2-dodecylbenzenesulfonate Openeye Name: bis(3-nitrophenyl)iodonium; 2-dodecylbenzenesulfonate CAS Name: bis(3-nitrophenyl)iodonium; 2-dodecylbenzenesulfonate IUPAC Name: bis(3-nitrophenyl)iodanium; 2-dodecylbenzenesulfonate Traditional Name: bis(3-nitrophenyl)iodonium; 2-laurylbesylate Formula: C30H37IN2O7S MolecularWeight: 696.59345

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1=CC(=CC(=C1)[I+]C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1=CC(=CC(=C1)[I+]C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H30O3S.C12H8IN2O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;16-14(17)11-5-1-3-9(7-11)13-10-4-2-6-12(8-10)15(18)19/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);1-8H/q;+1/p-1