sodium (8E,10E,12R)-12-oxidanylpentadeca-8,10-dien-6,14-diynoate

Systemtic Name: sodium (8E,10E,12R)-12-oxidanylpentadeca-8,10-dien-6,14-diynoate Openeye Name: sodium (8E,10E,12R)-12-hydroxypentadeca-8,10-dien-6,14-diynoate CAS Name: sodium (8E,10E,12R)-12-hydroxypentadeca-8,10-dien-6,14-diynoate IUPAC Name: sodium (8E,10E,12R)-12-hydroxypentadeca-8,10-dien-6,14-diynoate Traditional Name: sodium (8E,10E,12R)-12-hydroxypentadeca-8,10-dien-6,14-diynoate Formula: C15H17NaO3 MolecularWeight: 268.28345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O3.Na/c1-2-11-14(16)12-9-7-5-3-4-6-8-10-13-15(17)18;/h1,5,7,9,12,14,16H,6,8,10-11,13H2,(H,17,18);/q;+1/p-1/b7-5+,12-9+;/t14-;/m1./s1