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

Systemtic Name: [1-[2-dimethylaminoethyloxy(oxidanyl)phosphanyl]oxy-3-(3-tridecylphenoxy)propan-2-yl] butanoate Openeye Name: [1-[[2-dimethylaminoethyloxy(hydroxy)phosphanyl]oxymethyl]-2-(3-tridecylphenoxy)ethyl] butanoate CAS Name: butanoic acid [1-[2-dimethylaminoethyloxy(hydroxy)phosphino]oxy-3-(3-tridecylphenoxy)propan-2-yl] ester IUPAC Name: [1-[2-dimethylaminoethyloxy(hydroxy)phosphanyl]oxy-3-(3-tridecylphenoxy)propan-2-yl] butanoate Traditional Name: butyric acid [1-[[2-dimethylaminoethyloxy(hydroxy)phosphino]oxymethyl]-2-(3-tridecylphenoxy)ethyl] ester Formula: C30H54NO6P MolecularWeight: 555.726621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(O)OCCN(C)C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(O)OCCN(C)C)OC(=O)CCC

InChI

InChI=1S/C30H54NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-19-27-20-17-21-28(24-27)34-25-29(37-30(32)18-6-2)26-36-38(33)35-23-22-31(3)4/h17,20-21,24,29,33H,5-16,18-19,22-23,25-26H2,1-4H3