disodium [1,1-bis(oxidanylidene)-4-sulfonatooxy-thiolan-3-yl] sulfate trihydrate

Systemtic Name: disodium [1,1-bis(oxidanylidene)-4-sulfonatooxy-thiolan-3-yl] sulfate trihydrate Openeye Name: disodium (1,1-dioxo-4-sulfonatooxy-thiolan-3-yl) sulfate trihydrate CAS Name: disodium (1,1-dioxo-4-sulfonatooxy-3-thiolanyl) sulfate trihydrate IUPAC Name: disodium (1,1-dioxo-4-sulfonatooxythiolan-3-yl) sulfate trihydrate Traditional Name: disodium (1,1-diketo-4-sulfato-thiolan-3-yl) sulfate trihydrate Formula: C4H12Na2O13S3 MolecularWeight: 410.30482

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1(=O)=O)OS(=O)(=O)[O-])OS(=O)(=O)[O-].O.O.O.[Na+].[Na+]

Isomeric SMILES

C1C(C(CS1(=O)=O)OS(=O)(=O)[O-])OS(=O)(=O)[O-].O.O.O.[Na+].[Na+]

InChI

InChI=1S/C4H8O10S3.2Na.3H2O/c5-15(6)1-3(13-16(7,8)9)4(2-15)14-17(10,11)12;;;;;/h3-4H,1-2H2,(H,7,8,9)(H,10,11,12);;;3*1H2/q;2*+1;;;/p-2