calcium 3-sulfopropane-1,2-disulfonate hydrate

Systemtic Name: calcium 3-sulfopropane-1,2-disulfonate hydrate Openeye Name: calcium 3-sulfopropane-1,2-disulfonate hydrate CAS Name: calcium 3-sulfopropane-1,2-disulfonate hydrate IUPAC Name: calcium 3-sulfopropane-1,2-disulfonate hydrate Traditional Name: calcium 3-sulfopropane-1,2-disulfonate hydrate Formula: C3H8CaO10S3 MolecularWeight: 340.36262

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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.[Ca+2]

Isomeric SMILES

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

InChI

InChI=1S/C3H8O9S3.Ca.H2O/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);;1H2/q;+2;/p-2