calcium propane-1,2-disulfonic acid hydrate

Systemtic Name: calcium propane-1,2-disulfonic acid hydrate Openeye Name: calcium propane-1,2-disulfonic acid hydrate CAS Name: calcium propane-1,2-disulfonic acid hydrate IUPAC Name: calcium propane-1,2-disulfonic acid hydrate Traditional Name: calcium propane-1,2-disulfonic acid hydrate Formula: C3H10CaO7S2+2 MolecularWeight: 262.3153

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C3H8O6S2.Ca.H2O/c1-3(11(7,8)9)2-10(4,5)6;;/h3H,2H2,1H3,(H,4,5,6)(H,7,8,9);;1H2/q;+2;