2-cyanoethyl [(3E)-hexa-3,5-dienyl] [2-(hydroxymethyl)oxolan-3-yl] phosphate

Systemtic Name: 2-cyanoethyl [(3E)-hexa-3,5-dienyl] [2-(hydroxymethyl)oxolan-3-yl] phosphate Openeye Name: 2-cyanoethyl [(3E)-hexa-3,5-dienyl] [2-(hydroxymethyl)tetrahydrofuran-3-yl] phosphate CAS Name: phosphoric acid 2-cyanoethyl [(3E)-hexa-3,5-dienyl] [2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: 2-cyanoethyl [(3E)-hexa-3,5-dienyl] [2-(hydroxymethyl)oxolan-3-yl] phosphate Traditional Name: phosphoric acid 2-cyanoethyl [(3E)-hexa-3,5-dienyl] (2-methyloltetrahydrofuran-3-yl) ester Formula: C14H22NO6P MolecularWeight: 331.301341

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Descriptors Computed from Structure

Canonical SMILES:

C=CC=CCCOP(=O)(OCCC#N)OC1CCOC1CO

Isomeric SMILES

C=C/C=C/CCOP(=O)(OCCC#N)OC1CCOC1CO

InChI

InChI=1S/C14H22NO6P/c1-2-3-4-5-9-19-22(17,20-10-6-8-15)21-13-7-11-18-14(13)12-16/h2-4,13-14,16H,1,5-7,9-12H2/b4-3+