[1-(4-dodecoxyphenyl)-3-[2-(methylamino)ethoxy-oxidanyl-phosphanyl]oxy-propan-2-yl] butanoate

Systemtic Name: [1-(4-dodecoxyphenyl)-3-[2-(methylamino)ethoxy-oxidanyl-phosphanyl]oxy-propan-2-yl] butanoate Openeye Name: [1-[(4-dodecoxyphenyl)methyl]-2-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxy-ethyl] butanoate CAS Name: butanoic acid [1-(4-dodecoxyphenyl)-3-[hydroxy-[2-(methylamino)ethoxy]phosphino]oxypropan-2-yl] ester IUPAC Name: [1-(4-dodecoxyphenyl)-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropan-2-yl] butanoate Traditional Name: butyric acid [1-[[hydroxy-[2-(methylamino)ethoxy]phosphino]oxymethyl]-2-(4-lauryloxyphenyl)ethyl] ester Formula: C28H50NO6P MolecularWeight: 527.673461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(COP(O)OCCNC)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(COP(O)OCCNC)OC(=O)CCC

InChI

InChI=1S/C28H50NO6P/c1-4-6-7-8-9-10-11-12-13-14-21-32-26-18-16-25(17-19-26)23-27(35-28(30)15-5-2)24-34-36(31)33-22-20-29-3/h16-19,27,29,31H,4-15,20-24H2,1-3H3