calcium 4-azanyl-2-(phenylcarbonyloxy)benzoate

Systemtic Name: calcium 4-azanyl-2-(phenylcarbonyloxy)benzoate Openeye Name: calcium 4-amino-2-benzoyloxy-benzoate CAS Name: calcium 4-amino-2-benzoyloxybenzoate IUPAC Name: calcium 4-amino-2-benzoyloxybenzoate Traditional Name: calcium 4-amino-2-benzoyloxy-benzoate Formula: C28H20CaN2O8 MolecularWeight: 552.545

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)N)C(=O)[O-].C1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)N)C(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)N)C(=O)[O-].C1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)N)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C14H11NO4.Ca/c2*15-10-6-7-11(13(16)17)12(8-10)19-14(18)9-4-2-1-3-5-9;/h2*1-8H,15H2,(H,16,17);/q;;+2/p-2