bis[1-[(6E,9E,12E)-octadeca-6,9,12-trienoyl]oxypropyl] phosphate

Systemtic Name: bis[1-[(6E,9E,12E)-octadeca-6,9,12-trienoyl]oxypropyl] phosphate Openeye Name: bis[1-[(6E,9E,12E)-octadeca-6,9,12-trienoyl]oxypropyl] phosphate CAS Name: bis[1-[(6E,9E,12E)-1-oxooctadeca-6,9,12-trienoxy]propyl] phosphate IUPAC Name: bis[1-[(6E,9E,12E)-octadeca-6,9,12-trienoyl]oxypropyl] phosphate Traditional Name: bis[1-[(6E,9E,12E)-octadeca-6,9,12-trienoyl]oxypropyl] phosphate Formula: C42H70O8P- MolecularWeight: 733.974161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCC=CCCCCC(=O)OC(CC)OP(=O)([O-])OC(CC)OC(=O)CCCCC=CCC=CCC=CCCCCC

Isomeric SMILES

CCCCC/C=C/C/C=C/C/C=C/CCCCC(=O)OC(OP(=O)(OC(OC(=O)CCCC/C=C/C/C=C/C/C=C/CCCCC)CC)[O-])CC

InChI

InChI=1S/C42H71O8P/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(43)47-41(7-3)49-51(45,46)50-42(8-4)48-40(44)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h15-18,21-24,27-30,41-42H,5-14,19-20,25-26,31-38H2,1-4H3,(H,45,46)/p-1/b17-15+,18-16+,23-21+,24-22+,29-27+,30-28+