[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(4-methoxy-3-nitro-phenyl)methyl]azanium

Systemtic Name: [(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(4-methoxy-3-nitro-phenyl)methyl]azanium Openeye Name: [(3S)-1,1-dioxothiolan-3-yl]-[(4-methoxy-3-nitro-phenyl)methyl]ammonium CAS Name: [(3S)-1,1-dioxo-3-thiolanyl]-[(4-methoxy-3-nitrophenyl)methyl]ammonium IUPAC Name: [(3S)-1,1-dioxothiolan-3-yl]-[(4-methoxy-3-nitrophenyl)methyl]azanium Traditional Name: [(3S)-1,1-diketothiolan-3-yl]-(4-methoxy-3-nitro-benzyl)ammonium Formula: C12H17N2O5S+ MolecularWeight: 301.33878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C2CCS(=O)(=O)C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+][C@H]2CCS(=O)(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O5S/c1-19-12-3-2-9(6-11(12)14(15)16)7-13-10-4-5-20(17,18)8-10/h2-3,6,10,13H,4-5,7-8H2,1H3/p+1/t10-/m0/s1