sodium 3-(quinolin-2-ylmethoxy)phenolate pentahydrate

Systemtic Name: sodium 3-(quinolin-2-ylmethoxy)phenolate pentahydrate Openeye Name: sodium 3-(2-quinolylmethoxy)phenolate pentahydrate CAS Name: sodium 3-(2-quinolinylmethoxy)phenolate pentahydrate IUPAC Name: sodium 3-(quinolin-2-ylmethoxy)phenolate pentahydrate Traditional Name: sodium 3-(2-quinolylmethoxy)phenolate pentahydrate Formula: C16H22NNaO7 MolecularWeight: 363.33815

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)[O-].O.O.O.O.O.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)[O-].O.O.O.O.O.[Na+]

InChI

InChI=1S/C16H13NO2.Na.5H2O/c18-14-5-3-6-15(10-14)19-11-13-9-8-12-4-1-2-7-16(12)17-13;;;;;;/h1-10,18H,11H2;;5*1H2/q;+1;;;;;/p-1