(E)-4-fluoranyl-4-[2-(9-phosphonononanoylamino)phenoxy]but-2-enoic acid

Systemtic Name: (E)-4-fluoranyl-4-[2-(9-phosphonononanoylamino)phenoxy]but-2-enoic acid Openeye Name: (E)-4-fluoro-4-[2-(9-phosphonononanoylamino)phenoxy]but-2-enoic acid CAS Name: (E)-4-fluoro-4-[2-[(1-oxo-9-phosphonononyl)amino]phenoxy]-2-butenoic acid IUPAC Name: (E)-4-fluoro-4-[2-(9-phosphonononanoylamino)phenoxy]but-2-enoic acid Traditional Name: (E)-4-fluoro-4-[2-(9-phosphonononanoylamino)phenoxy]but-2-enoic acid Formula: C19H27FNO7P MolecularWeight: 431.392344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCP(=O)(O)O)OC(C=CC(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCP(=O)(O)O)OC(/C=C/C(=O)O)F

InChI

InChI=1S/C19H27FNO7P/c20-17(12-13-19(23)24)28-16-10-7-6-9-15(16)21-18(22)11-5-3-1-2-4-8-14-29(25,26)27/h6-7,9-10,12-13,17H,1-5,8,11,14H2,(H,21,22)(H,23,24)(H2,25,26,27)/b13-12+