calcium propane-1,2,3-trisulfonic acid tetrahydrate

Systemtic Name: calcium propane-1,2,3-trisulfonic acid tetrahydrate Openeye Name: calcium propane-1,2,3-trisulfonic acid tetrahydrate CAS Name: calcium propane-1,2,3-trisulfonic acid tetrahydrate IUPAC Name: calcium propane-1,2,3-trisulfonic acid tetrahydrate Traditional Name: calcium propane-1,2,3-trisulfonic acid tetrahydrate Formula: C3H16CaO13S3+2 MolecularWeight: 396.42434

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Descriptors Computed from Structure

Canonical SMILES:

C(C(CS(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.O.O.O.O.[Ca+2]

Isomeric SMILES

C(C(CS(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.O.O.O.O.[Ca+2]

InChI

InChI=1S/C3H8O9S3.Ca.4H2O/c4-13(5,6)1-3(15(10,11)12)2-14(7,8)9;;;;;/h3H,1-2H2,(H,4,5,6)(H,7,8,9)(H,10,11,12);;4*1H2/q;+2;;;;