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calcium 2-sulfanylethanoate trihydrate

calcium 2-sulfanylethanoate trihydrate

Systemtic Name:calcium 2-sulfanylethanoate trihydrate
Openeye Name:calcium 2-sulfanylacetate trihydrate
CAS Name:calcium 2-mercaptoacetate trihydrate
IUPAC Name:calcium 2-sulfanylacetate trihydrate
Traditional Name:calcium 2-mercaptoacetate trihydrate
Formula: C4H12CaO7S2
MolecularWeight: 276.34188
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C2H4O2S.Ca.3H2O/c2*3-2(4)1-5;;;;/h2*5H,1H2,(H,3,4);;3*1H2/q;;+2;;;/p-2


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