(4-nitrophenyl)methyl 2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]ethanoate Openeye Name: (4-nitrophenyl)methyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate CAS Name: 2-[(3S)-1,1-dioxo-3-thiolanyl]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate Traditional Name: 2-[(3S)-1,1-diketothiolan-3-yl]acetic acid (4-nitrobenzyl) ester Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO6S/c15-13(7-11-5-6-21(18,19)9-11)20-8-10-1-3-12(4-2-10)14(16)17/h1-4,11H,5-9H2/t11-/m1/s1