sodium 2-[(5E,7E,9R)-9-oxidanyldodeca-5,7-dien-3,11-diynoxy]ethanoate

Systemtic Name: sodium 2-[(5E,7E,9R)-9-oxidanyldodeca-5,7-dien-3,11-diynoxy]ethanoate Openeye Name: sodium 2-[(5E,7E,9R)-9-hydroxydodeca-5,7-dien-3,11-diynoxy]acetate CAS Name: sodium 2-[(5E,7E,9R)-9-hydroxydodeca-5,7-dien-3,11-diynoxy]acetate IUPAC Name: sodium 2-[(5E,7E,9R)-9-hydroxydodeca-5,7-dien-3,11-diynoxy]acetate Traditional Name: sodium 2-[(5E,7E,9R)-9-hydroxydodeca-5,7-dien-3,11-diynoxy]acetate Formula: C14H15NaO4 MolecularWeight: 270.25627

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C=CC=CC#CCCOCC(=O)[O-])O.[Na+]

Isomeric SMILES

C#CC[C@H](/C=C/C=C/C#CCCOCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C14H16O4.Na/c1-2-9-13(15)10-7-5-3-4-6-8-11-18-12-14(16)17;/h1,3,5,7,10,13,15H,8-9,11-12H2,(H,16,17);/q;+1/p-1/b5-3+,10-7+;/t13-;/m1./s1