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calcium 2-(4-hydroxyphenyl)-2-oxidanyl-ethanoate

calcium 2-(4-hydroxyphenyl)-2-oxidanyl-ethanoate

Systemtic Name:calcium 2-(4-hydroxyphenyl)-2-oxidanyl-ethanoate
Openeye Name:calcium 2-hydroxy-2-(4-hydroxyphenyl)acetate
CAS Name:calcium 2-hydroxy-2-(4-hydroxyphenyl)acetate
IUPAC Name:calcium 2-hydroxy-2-(4-hydroxyphenyl)acetate
Traditional Name:calcium 2-hydroxy-2-(4-hydroxyphenyl)acetate
Formula: C16H14CaO8
MolecularWeight: 374.35556
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(=O)[O-])O)O.C1=CC(=CC=C1C(C(=O)[O-])O)O.[Ca+2]


Isomeric SMILES

C1=CC(=CC=C1C(C(=O)[O-])O)O.C1=CC(=CC=C1C(C(=O)[O-])O)O.[Ca+2]


InChI

InChI=1S/2C8H8O4.Ca/c2*9-6-3-1-5(2-4-6)7(10)8(11)12;/h2*1-4,7,9-10H,(H,11,12);/q;;+2/p-2


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