lithium 3-[1-oxidanyl-2-[7-(1-oxidanylnonyl)quinolin-2-yl]ethyl]benzoate

Systemtic Name: lithium 3-[1-oxidanyl-2-[7-(1-oxidanylnonyl)quinolin-2-yl]ethyl]benzoate Openeye Name: lithium 3-[1-hydroxy-2-[7-(1-hydroxynonyl)-2-quinolyl]ethyl]benzoate CAS Name: lithium 3-[1-hydroxy-2-[7-(1-hydroxynonyl)-2-quinolinyl]ethyl]benzoate IUPAC Name: lithium 3-[1-hydroxy-2-[7-(1-hydroxynonyl)quinolin-2-yl]ethyl]benzoate Traditional Name: lithium 3-[1-hydroxy-2-[7-(1-hydroxynonyl)-2-quinolyl]ethyl]benzoate Formula: C27H32LiNO4 MolecularWeight: 441.48828

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCCCCCCCC(C1=CC2=C(C=C1)C=CC(=N2)CC(C3=CC=CC(=C3)C(=O)[O-])O)O

Isomeric SMILES

[Li+].CCCCCCCCC(C1=CC2=C(C=C1)C=CC(=N2)CC(C3=CC=CC(=C3)C(=O)[O-])O)O

InChI

InChI=1S/C27H33NO4.Li/c1-2-3-4-5-6-7-11-25(29)21-13-12-19-14-15-23(28-24(19)17-21)18-26(30)20-9-8-10-22(16-20)27(31)32;/h8-10,12-17,25-26,29-30H,2-7,11,18H2,1H3,(H,31,32);/q;+1/p-1