[3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-(13-prop-2-enoyloxytridecanoyloxy)propyl] hexadecanoate

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-(13-prop-2-enoyloxytridecanoyloxy)propyl] hexadecanoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(13-prop-2-enoyloxytridecanoyloxy)propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[1-oxo-13-(1-oxoprop-2-enoxy)tridecoxy]propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(13-prop-2-enoyloxytridecanoyloxy)propyl] hexadecanoate Traditional Name: palmitic acid [2-(13-acryloyloxytridecanoyloxy)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-propyl] ester Formula: C37H70NO10P MolecularWeight: 719.926161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCOC(=O)C=C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCOC(=O)C=C

InChI

InChI=1S/C37H70NO10P/c1-3-5-6-7-8-9-10-11-12-15-18-21-24-27-36(40)45-32-34(33-47-49(42,43)46-31-29-38)48-37(41)28-25-22-19-16-13-14-17-20-23-26-30-44-35(39)4-2/h4,34H,2-3,5-33,38H2,1H3,(H,42,43)