2-phenyliodoniobenzoate hydrate

Systemtic Name: 2-phenyliodoniobenzoate hydrate Openeye Name: 2-phenyliodoniobenzoate hydrate CAS Name: 2-phenyliodoniobenzoate hydrate IUPAC Name: 2-phenyliodoniobenzoate hydrate Traditional Name: 2-phenyliodoniobenzoate hydrate Formula: C13H11IO3 MolecularWeight: 342.12911

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[I+]C2=CC=CC=C2C(=O)[O-].O

Isomeric SMILES

C1=CC=C(C=C1)[I+]C2=CC=CC=C2C(=O)[O-].O

InChI

InChI=1S/C13H9IO2.H2O/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;/h1-9H;1H2