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

Systemtic Name: [1-[2-dimethylaminoethyloxy(oxidanyl)phosphanyl]oxy-3-(2-hexadecylphenoxy)propan-2-yl] ethanoate Openeye Name: [1-[[2-dimethylaminoethyloxy(hydroxy)phosphanyl]oxymethyl]-2-(2-hexadecylphenoxy)ethyl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [1-[(2-cetylphenoxy)methyl]-2-[2-dimethylaminoethyloxy(hydroxy)phosphino]oxy-ethyl] ester Formula: C31H56NO6P MolecularWeight: 569.753201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-22-19-20-23-31(29)35-26-30(38-28(2)33)27-37-39(34)36-25-24-32(3)4/h19-20,22-23,30,34H,5-18,21,24-27H2,1-4H3