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calcium 4-nitrophenolate

calcium 4-nitrophenolate

Systemtic Name:calcium 4-nitrophenolate
Openeye Name:calcium 4-nitrophenolate
CAS Name:calcium 4-nitrophenolate
IUPAC Name:calcium 4-nitrophenolate
Traditional Name:calcium 4-nitrophenolate
Formula: C12H8CaN2O6
MolecularWeight: 316.27972
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C6H5NO3.Ca/c2*8-6-3-1-5(2-4-6)7(9)10;/h2*1-4,8H;/q;;+2/p-2


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