calcium 4-(4-chloranylphenoxy)-1H-pyrrole-2-carboxylate

Systemtic Name: calcium 4-(4-chloranylphenoxy)-1H-pyrrole-2-carboxylate Openeye Name: calcium 4-(4-chlorophenoxy)-1H-pyrrole-2-carboxylate CAS Name: calcium 4-(4-chlorophenoxy)-1H-pyrrole-2-carboxylate IUPAC Name: calcium 4-(4-chlorophenoxy)-1H-pyrrole-2-carboxylate Traditional Name: calcium 4-(4-chlorophenoxy)-1H-pyrrole-2-carboxylate Formula: C22H14CaCl2N2O6 MolecularWeight: 513.34036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CNC(=C2)C(=O)[O-])Cl.C1=CC(=CC=C1OC2=CNC(=C2)C(=O)[O-])Cl.[Ca+2]

Isomeric SMILES

C1=CC(=CC=C1OC2=CNC(=C2)C(=O)[O-])Cl.C1=CC(=CC=C1OC2=CNC(=C2)C(=O)[O-])Cl.[Ca+2]

InChI

InChI=1S/2C11H8ClNO3.Ca/c2*12-7-1-3-8(4-2-7)16-9-5-10(11(14)15)13-6-9;/h2*1-6,13H,(H,14,15);/q;;+2/p-2