[6-[(2-methoxy-3-octadecoxy-propoxy)-oxidanyl-phosphoryl]oxy-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [6-[(2-methoxy-3-octadecoxy-propoxy)-oxidanyl-phosphoryl]oxy-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [4,5-dibenzoyloxy-6-[hydroxy-(2-methoxy-3-octadecoxy-propoxy)phosphoryl]oxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [4,5-dibenzoyloxy-6-[hydroxy-(2-methoxy-3-octadecoxypropoxy)phosphoryl]oxy-3-oxanyl] ester IUPAC Name: [4,5-dibenzoyloxy-6-[hydroxy-(2-methoxy-3-octadecoxypropoxy)phosphoryl]oxyoxan-3-yl] benzoate Traditional Name: benzoic acid [4,5-dibenzoyloxy-6-[hydroxy-(2-methoxy-3-stearyloxy-propoxy)phosphoryl]oxy-tetrahydropyran-3-yl] ester Formula: C48H67O13P MolecularWeight: 883.011541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(C(C(CO1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(C(C(CO1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C48H67O13P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-34-55-35-41(54-2)36-57-62(52,53)61-48-44(60-47(51)40-32-25-20-26-33-40)43(59-46(50)39-30-23-19-24-31-39)42(37-56-48)58-45(49)38-28-21-18-22-29-38/h18-26,28-33,41-44,48H,3-17,27,34-37H2,1-2H3,(H,52,53)