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calcium (2-oxidanylphenoxy)methanesulfonate

calcium (2-oxidanylphenoxy)methanesulfonate

Systemtic Name:calcium (2-oxidanylphenoxy)methanesulfonate
Openeye Name:calcium (2-hydroxyphenoxy)methanesulfonate
CAS Name:calcium (2-hydroxyphenoxy)methanesulfonate
IUPAC Name:calcium (2-hydroxyphenoxy)methanesulfonate
Traditional Name:calcium (2-hydroxyphenoxy)methanesulfonate
Formula: C14H14CaO10S2
MolecularWeight: 446.46296
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)O)OCS(=O)(=O)[O-].C1=CC=C(C(=C1)O)OCS(=O)(=O)[O-].[Ca+2]


Isomeric SMILES

C1=CC=C(C(=C1)O)OCS(=O)(=O)[O-].C1=CC=C(C(=C1)O)OCS(=O)(=O)[O-].[Ca+2]


InChI

InChI=1S/2C7H8O5S.Ca/c2*8-6-3-1-2-4-7(6)12-5-13(9,10)11;/h2*1-4,8H,5H2,(H,9,10,11);/q;;+2/p-2


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