[1-[2-dimethylaminoethyloxy(oxidanyl)phosphanyl]oxy-3-(2-hexadecylphenoxy)propan-2-yl] butanoate

Systemtic Name: [1-[2-dimethylaminoethyloxy(oxidanyl)phosphanyl]oxy-3-(2-hexadecylphenoxy)propan-2-yl] butanoate Openeye Name: [1-[[2-dimethylaminoethyloxy(hydroxy)phosphanyl]oxymethyl]-2-(2-hexadecylphenoxy)ethyl] butanoate CAS Name: butanoic acid [1-[2-dimethylaminoethyloxy(hydroxy)phosphino]oxy-3-(2-hexadecylphenoxy)propan-2-yl] ester IUPAC Name: [1-[2-dimethylaminoethyloxy(hydroxy)phosphanyl]oxy-3-(2-hexadecylphenoxy)propan-2-yl] butanoate Traditional Name: butyric acid [1-[(2-cetylphenoxy)methyl]-2-[2-dimethylaminoethyloxy(hydroxy)phosphino]oxy-ethyl] ester Formula: C33H60NO6P MolecularWeight: 597.806361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1OCC(COP(O)OCCN(C)C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1OCC(COP(O)OCCN(C)C)OC(=O)CCC

InChI

InChI=1S/C33H60NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-24-20-21-25-32(30)37-28-31(40-33(35)22-6-2)29-39-41(36)38-27-26-34(3)4/h20-21,24-25,31,36H,5-19,22-23,26-29H2,1-4H3