sodium 8-oxidanyl-8-(2-pentoxyquinolin-3-yl)oct-5-ynoate

Systemtic Name: sodium 8-oxidanyl-8-(2-pentoxyquinolin-3-yl)oct-5-ynoate Openeye Name: sodium 8-hydroxy-8-(2-pentoxy-3-quinolyl)oct-5-ynoate CAS Name: sodium 8-hydroxy-8-(2-pentoxy-3-quinolinyl)-5-octynoate IUPAC Name: sodium 8-hydroxy-8-(2-pentoxyquinolin-3-yl)oct-5-ynoate Traditional Name: sodium 8-(2-amoxy-3-quinolyl)-8-hydroxy-oct-5-ynoate Formula: C22H26NNaO4 MolecularWeight: 391.43591

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NC2=CC=CC=C2C=C1C(CC#CCCCC(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCOC1=NC2=CC=CC=C2C=C1C(CC#CCCCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C22H27NO4.Na/c1-2-3-10-15-27-22-18(16-17-11-8-9-12-19(17)23-22)20(24)13-6-4-5-7-14-21(25)26;/h8-9,11-12,16,20,24H,2-3,5,7,10,13-15H2,1H3,(H,25,26);/q;+1/p-1