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

Systemtic Name: [1-[2-dimethylaminoethyloxy(oxidanyl)phosphanyl]oxy-3-(3-tridecylphenoxy)propan-2-yl] propanoate Openeye Name: [1-[[2-dimethylaminoethyloxy(hydroxy)phosphanyl]oxymethyl]-2-(3-tridecylphenoxy)ethyl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid [1-[[2-dimethylaminoethyloxy(hydroxy)phosphino]oxymethyl]-2-(3-tridecylphenoxy)ethyl] ester Formula: C29H52NO6P MolecularWeight: 541.700041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-18-26-19-17-20-27(23-26)33-24-28(36-29(31)6-2)25-35-37(32)34-22-21-30(3)4/h17,19-20,23,28,32H,5-16,18,21-22,24-25H2,1-4H3