calcium propane-1,2-disulfonate hydrate

Systemtic Name: calcium propane-1,2-disulfonate hydrate Openeye Name: calcium propane-1,2-disulfonate hydrate CAS Name: calcium propane-1,2-disulfonate hydrate IUPAC Name: calcium propane-1,2-disulfonate hydrate Traditional Name: calcium propane-1,2-disulfonate hydrate Formula: C3H8CaO7S2 MolecularWeight: 260.29942

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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;/p-2