1-[1-(2-iodanylethoxy)-2-isothiocyanato-ethyl]-2-nitro-benzene

Systemtic Name: 1-[1-(2-iodanylethoxy)-2-isothiocyanato-ethyl]-2-nitro-benzene Openeye Name: 1-[1-(2-iodoethoxy)-2-isothiocyanato-ethyl]-2-nitro-benzene CAS Name: 1-[1-(2-iodoethoxy)-2-isothiocyanatoethyl]-2-nitrobenzene IUPAC Name: 1-[1-(2-iodoethoxy)-2-isothiocyanatoethyl]-2-nitrobenzene Traditional Name: 1-[1-(2-iodoethoxy)-2-isothiocyanato-ethyl]-2-nitro-benzene Formula: C11H11IN2O3S MolecularWeight: 378.18611

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(CN=C=S)OCCI)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(CN=C=S)OCCI)[N+](=O)[O-]

InChI

InChI=1S/C11H11IN2O3S/c12-5-6-17-11(7-13-8-18)9-3-1-2-4-10(9)14(15)16/h1-4,11H,5-7H2