calcium 4-benzamido-2-oxidanyl-benzoate

Systemtic Name: calcium 4-benzamido-2-oxidanyl-benzoate Openeye Name: calcium 4-benzamido-2-hydroxy-benzoate CAS Name: calcium 4-benzamido-2-hydroxybenzoate IUPAC Name: calcium 4-benzamido-2-hydroxybenzoate Traditional Name: calcium 4-benzamido-2-hydroxy-benzoate Formula: C28H20CaN2O8 MolecularWeight: 552.545

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)[O-])O.C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)[O-])O.[Ca+2]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)[O-])O.C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)[O-])O.[Ca+2]

InChI

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