[1-[2,3-bis(oxidanyl)propoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-propan-2-yl] (E)-hexadec-3-enoate

Systemtic Name: [1-[2,3-bis(oxidanyl)propoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-propan-2-yl] (E)-hexadec-3-enoate Openeye Name: [1-[[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxymethyl]-2-hydroxy-ethyl] (E)-hexadec-3-enoate CAS Name: (E)-3-hexadecenoic acid [1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] ester IUPAC Name: [1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (E)-hexadec-3-enoate Traditional Name: (E)-hexadec-3-enoic acid [1-[[glyceryloxy(hydroxy)phosphoryl]oxymethyl]-2-hydroxy-ethyl] ester Formula: C22H43O9P MolecularWeight: 482.545181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CCC(=O)OC(CO)COP(=O)(O)OCC(CO)O

Isomeric SMILES

CCCCCCCCCCCC/C=C/CC(=O)OC(CO)COP(=O)(O)OCC(CO)O

InChI

InChI=1S/C22H43O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)31-21(17-24)19-30-32(27,28)29-18-20(25)16-23/h13-14,20-21,23-25H,2-12,15-19H2,1H3,(H,27,28)/b14-13+