2-[(1R)-1-(furan-2-yl)-2-nitro-ethyl]sulfanylbenzoate

Systemtic Name: 2-[(1R)-1-(furan-2-yl)-2-nitro-ethyl]sulfanylbenzoate Openeye Name: 2-[(1R)-1-(2-furyl)-2-nitro-ethyl]sulfanylbenzoate CAS Name: 2-[[(1R)-1-(2-furanyl)-2-nitroethyl]thio]benzoate IUPAC Name: 2-[(1R)-1-(furan-2-yl)-2-nitroethyl]sulfanylbenzoate Traditional Name: 2-[[(1R)-1-(2-furyl)-2-nitro-ethyl]thio]benzoate Formula: C13H10NO5S- MolecularWeight: 292.2872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SC(C[N+](=O)[O-])C2=CC=CO2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])S[C@H](C[N+](=O)[O-])C2=CC=CO2

InChI

InChI=1S/C13H11NO5S/c15-13(16)9-4-1-2-6-11(9)20-12(8-14(17)18)10-5-3-7-19-10/h1-7,12H,8H2,(H,15,16)/p-1/t12-/m1/s1