sodium 2-chloranylbenzo[i][1,9]phenanthroline-7-carboxylate

Systemtic Name: sodium 2-chloranylbenzo[i][1,9]phenanthroline-7-carboxylate Openeye Name: sodium 2-chlorobenzo[i][1,9]phenanthroline-7-carboxylate CAS Name: sodium 2-chloro-7-benzo[i][1,9]phenanthrolinecarboxylate IUPAC Name: sodium 2-chlorobenzo[i][1,9]phenanthroline-7-carboxylate Traditional Name: sodium 2-chlorobenzo[i][1,9]phenanthroline-7-carboxylate Formula: C17H8ClN2NaO2 MolecularWeight: 330.70039

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C=CC4=CC(=CN=C4C3=CN=C2C(=C1)C(=O)[O-])Cl.[Na+]

Isomeric SMILES

C1=CC2=C3C=CC4=CC(=CN=C4C3=CN=C2C(=C1)C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C17H9ClN2O2.Na/c18-10-6-9-4-5-11-12-2-1-3-13(17(21)22)16(12)20-8-14(11)15(9)19-7-10;/h1-8H,(H,21,22);/q;+1/p-1