dicalcium 4-azanyl-2-oxidanidyl-benzoate

Systemtic Name: dicalcium 4-azanyl-2-oxidanidyl-benzoate Openeye Name: dicalcium 4-amino-2-oxido-benzoate CAS Name: dicalcium 4-amino-2-oxidobenzoate IUPAC Name: dicalcium 4-amino-2-oxidobenzoate Traditional Name: dicalcium 4-amino-2-oxido-benzoate Formula: C14H10Ca2N2O6 MolecularWeight: 382.395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)[O-])C(=O)[O-].C1=CC(=C(C=C1N)[O-])C(=O)[O-].[Ca+2].[Ca+2]

Isomeric SMILES

C1=CC(=C(C=C1N)[O-])C(=O)[O-].C1=CC(=C(C=C1N)[O-])C(=O)[O-].[Ca+2].[Ca+2]

InChI

InChI=1S/2C7H7NO3.2Ca/c2*8-4-1-2-5(7(10)11)6(9)3-4;;/h2*1-3,9H,8H2,(H,10,11);;/q;;2*+2/p-4