sodium (6E,8E,10R)-10-oxidanyltrideca-6,8-dien-4,12-diynoate

Systemtic Name: sodium (6E,8E,10R)-10-oxidanyltrideca-6,8-dien-4,12-diynoate Openeye Name: sodium (6E,8E,10R)-10-hydroxytrideca-6,8-dien-4,12-diynoate CAS Name: sodium (6E,8E,10R)-10-hydroxytrideca-6,8-dien-4,12-diynoate IUPAC Name: sodium (6E,8E,10R)-10-hydroxytrideca-6,8-dien-4,12-diynoate Traditional Name: sodium (6E,8E,10R)-10-hydroxytrideca-6,8-dien-4,12-diynoate Formula: C13H13NaO3 MolecularWeight: 240.23029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O3.Na/c1-2-9-12(14)10-7-5-3-4-6-8-11-13(15)16;/h1,3,5,7,10,12,14H,8-9,11H2,(H,15,16);/q;+1/p-1/b5-3+,10-7+;/t12-;/m1./s1