sodium (5S,8E,10E)-5-oxidanylpentadeca-8,10-dien-6,14-diynoate

Systemtic Name: sodium (5S,8E,10E)-5-oxidanylpentadeca-8,10-dien-6,14-diynoate Openeye Name: sodium (5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoate CAS Name: sodium (5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoate IUPAC Name: sodium (5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoate Traditional Name: sodium (5S,8E,10E)-5-hydroxypentadeca-8,10-dien-6,14-diynoate Formula: C15H17NaO3 MolecularWeight: 268.28345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C#CCC/C=C/C=C/C#C[C@H](CCCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C15H18O3.Na/c1-2-3-4-5-6-7-8-9-11-14(16)12-10-13-15(17)18;/h1,5-8,14,16H,3-4,10,12-13H2,(H,17,18);/q;+1/p-1/b6-5+,8-7+;/t14-;/m1./s1