[(3S,4S)-4-bromanyl-1,1-bis(oxidanylidene)thiolan-3-yl] benzoate

Systemtic Name: [(3S,4S)-4-bromanyl-1,1-bis(oxidanylidene)thiolan-3-yl] benzoate Openeye Name: [(3S,4S)-4-bromo-1,1-dioxo-thiolan-3-yl] benzoate CAS Name: benzoic acid [(3S,4S)-4-bromo-1,1-dioxo-3-thiolanyl] ester IUPAC Name: [(3S,4S)-4-bromo-1,1-dioxothiolan-3-yl] benzoate Traditional Name: benzoic acid [(3S,4S)-4-bromo-1,1-diketo-thiolan-3-yl] ester Formula: C22H22Br2O8S2 MolecularWeight: 638.34328

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1(=O)=O)Br)OC(=O)C2=CC=CC=C2.C1C(C(CS1(=O)=O)Br)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C1[C@@H]([C@@H](CS1(=O)=O)Br)OC(=O)C2=CC=CC=C2.C1[C@@H]([C@@H](CS1(=O)=O)Br)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/2C11H11BrO4S/c2*12-9-6-17(14,15)7-10(9)16-11(13)8-4-2-1-3-5-8/h2*1-5,9-10H,6-7H2/t2*9-,10+/m11/s1