[3-fluoranyloxy-6-(hydroxymethyl)-5-(2-nitrophenoxy)-4-oxidanyl-oxan-2-yl] (E)-octadec-9-enoate

Systemtic Name: [3-fluoranyloxy-6-(hydroxymethyl)-5-(2-nitrophenoxy)-4-oxidanyl-oxan-2-yl] (E)-octadec-9-enoate Openeye Name: [3-fluorooxy-4-hydroxy-6-(hydroxymethyl)-5-(2-nitrophenoxy)tetrahydropyran-2-yl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [3-fluorooxy-4-hydroxy-6-(hydroxymethyl)-5-(2-nitrophenoxy)-2-oxanyl] ester IUPAC Name: [3-fluorooxy-4-hydroxy-6-(hydroxymethyl)-5-(2-nitrophenoxy)oxan-2-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-fluorooxy-4-hydroxy-6-methylol-5-(2-nitrophenoxy)tetrahydropyran-2-yl] ester Formula: C30H46FNO9 MolecularWeight: 583.685943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1C(C(C(C(O1)CO)OC2=CC=CC=C2[N+](=O)[O-])O)OF

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC1C(C(C(C(O1)CO)OC2=CC=CC=C2[N+](=O)[O-])O)OF

InChI

InChI=1S/C30H46FNO9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(34)40-30-29(41-31)27(35)28(25(22-33)39-30)38-24-20-18-17-19-23(24)32(36)37/h9-10,17-20,25,27-30,33,35H,2-8,11-16,21-22H2,1H3/b10-9+