sodium 2-[(2S,3R,4E,6E,8Z,10E,12S)-13-(4-fluoranylphenoxy)-2,3,12-tris(oxidanyl)trideca-4,6,8,10-tetraenoxy]ethanoate

Systemtic Name: sodium 2-[(2S,3R,4E,6E,8Z,10E,12S)-13-(4-fluoranylphenoxy)-2,3,12-tris(oxidanyl)trideca-4,6,8,10-tetraenoxy]ethanoate Openeye Name: sodium 2-[(2S,3R,4E,6E,8Z,10E,12S)-13-(4-fluorophenoxy)-2,3,12-trihydroxy-trideca-4,6,8,10-tetraenoxy]acetate CAS Name: sodium 2-[(2S,3R,4E,6E,8Z,10E,12S)-13-(4-fluorophenoxy)-2,3,12-trihydroxytrideca-4,6,8,10-tetraenoxy]acetate IUPAC Name: sodium 2-[(2S,3R,4E,6E,8Z,10E,12S)-13-(4-fluorophenoxy)-2,3,12-trihydroxytrideca-4,6,8,10-tetraenoxy]acetate Traditional Name: sodium 2-[(2S,3R,4E,6E,8Z,10E,12S)-13-(4-fluorophenoxy)-2,3,12-trihydroxy-trideca-4,6,8,10-tetraenoxy]acetate Formula: C21H24FNaO7 MolecularWeight: 430.399233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(C=CC=CC=CC=CC(C(COCC(=O)[O-])O)O)O)F.[Na+]

Isomeric SMILES

C1=CC(=CC=C1OC[C@H](/C=C/C=C\C=C\C=C\[C@H]([C@H](COCC(=O)[O-])O)O)O)F.[Na+]

InChI

InChI=1S/C21H25FO7.Na/c22-16-9-11-18(12-10-16)29-13-17(23)7-5-3-1-2-4-6-8-19(24)20(25)14-28-15-21(26)27;/h1-12,17,19-20,23-25H,13-15H2,(H,26,27);/q;+1/p-1/b3-1-,4-2+,7-5+,8-6+;/t17-,19+,20-;/m0./s1