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calcium ethanesulfonate hydrate

calcium ethanesulfonate hydrate

Systemtic Name:calcium ethanesulfonate hydrate
Openeye Name:calcium ethanesulfonate hydrate
CAS Name:calcium ethanesulfonate hydrate
IUPAC Name:calcium ethanesulfonate hydrate
Traditional Name:calcium diesylate hydrate
Formula: C4H12CaO7S2
MolecularWeight: 276.34188
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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[O-].CCS(=O)(=O)[O-].O.[Ca+2]


Isomeric SMILES

CCS(=O)(=O)[O-].CCS(=O)(=O)[O-].O.[Ca+2]


InChI

InChI=1S/2C2H6O3S.Ca.H2O/c2*1-2-6(3,4)5;;/h2*2H2,1H3,(H,3,4,5);;1H2/q;;+2;/p-2


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