lithium 3-[1-oxidanyl-2-[6-[(E)-3-oxidanylundec-1-enyl]pyridin-2-yl]ethyl]benzoate

Systemtic Name: lithium 3-[1-oxidanyl-2-[6-[(E)-3-oxidanylundec-1-enyl]pyridin-2-yl]ethyl]benzoate Openeye Name: lithium 3-[1-hydroxy-2-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridyl]ethyl]benzoate CAS Name: lithium 3-[1-hydroxy-2-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridinyl]ethyl]benzoate IUPAC Name: lithium 3-[1-hydroxy-2-[6-[(E)-3-hydroxyundec-1-enyl]pyridin-2-yl]ethyl]benzoate Traditional Name: lithium 3-[1-hydroxy-2-[6-[(E)-3-hydroxyundec-1-enyl]-2-pyridyl]ethyl]benzoate Formula: C25H32LiNO4 MolecularWeight: 417.46688

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCCCCCCCC(C=CC1=NC(=CC=C1)CC(C2=CC=CC(=C2)C(=O)[O-])O)O

Isomeric SMILES

[Li+].CCCCCCCCC(/C=C/C1=NC(=CC=C1)CC(C2=CC=CC(=C2)C(=O)[O-])O)O

InChI

InChI=1S/C25H33NO4.Li/c1-2-3-4-5-6-7-14-23(27)16-15-21-12-9-13-22(26-21)18-24(28)19-10-8-11-20(17-19)25(29)30;/h8-13,15-17,23-24,27-28H,2-7,14,18H2,1H3,(H,29,30);/q;+1/p-1/b16-15+;