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

Systemtic Name: sodium (E)-8-oxidanyl-8-(2-pentoxypyridin-3-yl)oct-5-enoate Openeye Name: sodium (E)-8-hydroxy-8-(2-pentoxy-3-pyridyl)oct-5-enoate CAS Name: sodium (E)-8-hydroxy-8-(2-pentoxy-3-pyridinyl)-5-octenoate IUPAC Name: sodium (E)-8-hydroxy-8-(2-pentoxypyridin-3-yl)oct-5-enoate Traditional Name: sodium (E)-8-(2-amoxy-3-pyridyl)-8-hydroxy-oct-5-enoate Formula: C18H26NNaO4 MolecularWeight: 343.39311

Click to see the large picture

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(C/C=C/CCCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C18H27NO4.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;/h4,6,9-10,13,16,20H,2-3,5,7-8,11-12,14H2,1H3,(H,21,22);/q;+1/p-1/b6-4+;