[1-[(E)-octadec-9-enoyl]oxy-3-phosphonatooxy-propan-2-yl] phosphate

Systemtic Name: [1-[(E)-octadec-9-enoyl]oxy-3-phosphonatooxy-propan-2-yl] phosphate Openeye Name: [1-[[(E)-octadec-9-enoyl]oxymethyl]-2-phosphonatooxy-ethyl] phosphate CAS Name: [1-[(E)-1-oxooctadec-9-enoxy]-3-phosphonatooxypropan-2-yl] phosphate IUPAC Name: [1-[(E)-octadec-9-enoyl]oxy-3-phosphonatooxypropan-2-yl] phosphate Traditional Name: [1-[[(E)-octadec-9-enoyl]oxymethyl]-2-phosphato-ethyl] phosphate Formula: C21H38O10P2-4 MolecularWeight: 512.467942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OP(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OP(=O)([O-])[O-]

InChI

InChI=1S/C21H42O10P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)29-18-20(31-33(26,27)28)19-30-32(23,24)25/h9-10,20H,2-8,11-19H2,1H3,(H2,23,24,25)(H2,26,27,28)/p-4/b10-9+