[(3R,4S)-4-phosphonooxypiperidin-3-yl] (E)-octadec-9-enoate

Systemtic Name: [(3R,4S)-4-phosphonooxypiperidin-3-yl] (E)-octadec-9-enoate Openeye Name: [(3R,4S)-4-phosphonooxy-3-piperidyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [(3R,4S)-4-phosphonooxy-3-piperidinyl] ester IUPAC Name: [(3R,4S)-4-phosphonooxypiperidin-3-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [(3R,4S)-4-phosphonooxy-3-piperidyl] ester Formula: C23H44NO6P MolecularWeight: 461.572321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1CNCCC1OP(=O)(O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O[C@@H]1CNCC[C@@H]1OP(=O)(O)O

InChI

InChI=1S/C23H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(25)29-22-20-24-19-18-21(22)30-31(26,27)28/h9-10,21-22,24H,2-8,11-20H2,1H3,(H2,26,27,28)/b10-9+/t21-,22+/m0/s1