[1-(16-methylheptadecoxy)-3-phosphonooxy-propan-2-yl] 19-methyl-2,3-bis(oxidanyl)icosanoate

Systemtic Name: [1-(16-methylheptadecoxy)-3-phosphonooxy-propan-2-yl] 19-methyl-2,3-bis(oxidanyl)icosanoate Openeye Name: [1-(16-methylheptadecoxymethyl)-2-phosphonooxy-ethyl] 2,3-dihydroxy-19-methyl-icosanoate CAS Name: 2,3-dihydroxy-19-methyleicosanoic acid [1-(16-methylheptadecoxy)-3-phosphonooxypropan-2-yl] ester IUPAC Name: [1-(16-methylheptadecoxy)-3-phosphonooxypropan-2-yl] 2,3-dihydroxy-19-methylicosanoate Traditional Name: 2,3-dihydroxy-19-methyl-arachidic acid [1-(16-methylheptadecoxymethyl)-2-phosphonooxy-ethyl] ester Formula: C42H85O9P MolecularWeight: 765.092661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCC(C(C(=O)OC(COCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)O)O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCC(C(C(=O)OC(COCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)O)O)O

InChI

InChI=1S/C42H85O9P/c1-37(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-40(43)41(44)42(45)51-39(36-50-52(46,47)48)35-49-34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-38(3)4/h37-41,43-44H,5-36H2,1-4H3,(H2,46,47,48)