[(5R,6R)-10-oxidanidyl-6-oxidanyl-2-oxidanylidene-5,6-dihydro-1H-1,10-phenanthrolin-10-ium-5-yl] 3-chloranylbenzoate

Systemtic Name: [(5R,6R)-10-oxidanidyl-6-oxidanyl-2-oxidanylidene-5,6-dihydro-1H-1,10-phenanthrolin-10-ium-5-yl] 3-chloranylbenzoate Openeye Name: [(5R,6R)-6-hydroxy-10-oxido-2-oxo-5,6-dihydro-1H-1,10-phenanthrolin-10-ium-5-yl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [(5R,6R)-6-hydroxy-10-oxido-2-oxo-5,6-dihydro-1H-1,10-phenanthrolin-10-ium-5-yl] ester IUPAC Name: [(5R,6R)-6-hydroxy-10-oxido-2-oxo-5,6-dihydro-1H-1,10-phenanthrolin-10-ium-5-yl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [(5R,6R)-6-hydroxy-2-keto-10-oxido-5,6-dihydro-1H-1,10-phenanthrolin-10-ium-5-yl] ester Formula: C19H13ClN2O5 MolecularWeight: 384.76992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)OC2C(C3=C(C4=C2C=CC(=O)N4)[N+](=CC=C3)[O-])O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)O[C@H]2[C@@H](C3=C(C4=C2C=CC(=O)N4)[N+](=CC=C3)[O-])O

InChI

InChI=1S/C19H13ClN2O5/c20-11-4-1-3-10(9-11)19(25)27-18-12-6-7-14(23)21-15(12)16-13(17(18)24)5-2-8-22(16)26/h1-9,17-18,24H,(H,21,23)/t17-,18-/m1/s1