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

Systemtic Name: sodium 8-oxidanyl-8-(2-pentoxypyridin-3-yl)oct-5-ynoate Openeye Name: sodium 8-hydroxy-8-(2-pentoxy-3-pyridyl)oct-5-ynoate CAS Name: sodium 8-hydroxy-8-(2-pentoxy-3-pyridinyl)-5-octynoate IUPAC Name: sodium 8-hydroxy-8-(2-pentoxypyridin-3-yl)oct-5-ynoate Traditional Name: sodium 8-(2-amoxy-3-pyridyl)-8-hydroxy-oct-5-ynoate Formula: C18H24NNaO4 MolecularWeight: 341.37723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC=N1)C(CC#CCCCC(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCOC1=C(C=CC=N1)C(CC#CCCCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C18H25NO4.Na/c1-2-3-8-14-23-18-15(10-9-13-19-18)16(20)11-6-4-5-7-12-17(21)22;/h9-10,13,16,20H,2-3,5,7-8,11-12,14H2,1H3,(H,21,22);/q;+1/p-1