[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl] 2-(4-methoxy-2-nitro-phenoxy)ethanoate

Systemtic Name: [(3S)-1,1-bis(oxidanylidene)thiolan-3-yl] 2-(4-methoxy-2-nitro-phenoxy)ethanoate Openeye Name: [(3S)-1,1-dioxothiolan-3-yl] 2-(4-methoxy-2-nitro-phenoxy)acetate CAS Name: 2-(4-methoxy-2-nitrophenoxy)acetic acid [(3S)-1,1-dioxo-3-thiolanyl] ester IUPAC Name: [(3S)-1,1-dioxothiolan-3-yl] 2-(4-methoxy-2-nitrophenoxy)acetate Traditional Name: 2-(4-methoxy-2-nitro-phenoxy)acetic acid [(3S)-1,1-diketothiolan-3-yl] ester Formula: C13H15NO8S MolecularWeight: 345.3251

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(=O)OC2CCS(=O)(=O)C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO8S/c1-20-9-2-3-12(11(6-9)14(16)17)21-7-13(15)22-10-4-5-23(18,19)8-10/h2-3,6,10H,4-5,7-8H2,1H3/t10-/m0/s1