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calcium dibenzoate trihydrate

calcium dibenzoate trihydrate

Systemtic Name:calcium dibenzoate trihydrate
Openeye Name:calcium dibenzoate trihydrate
CAS Name:calcium dibenzoate trihydrate
IUPAC Name:calcium dibenzoate trihydrate
Traditional Name:calcium dibenzoate trihydrate
Formula: C14H16CaO7
MolecularWeight: 336.35064
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C7H6O2.Ca.3H2O/c2*8-7(9)6-4-2-1-3-5-6;;;;/h2*1-5H,(H,8,9);;3*1H2/q;;+2;;;/p-2


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