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

Systemtic Name: [4-(3-dodecoxyphenyl)-1-[2-(methylamino)ethoxy-oxidanyl-phosphanyl]oxy-butan-2-yl] butanoate Openeye Name: [3-(3-dodecoxyphenyl)-1-[[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxymethyl]propyl] butanoate CAS Name: butanoic acid [4-(3-dodecoxyphenyl)-1-[hydroxy-[2-(methylamino)ethoxy]phosphino]oxybutan-2-yl] ester IUPAC Name: [4-(3-dodecoxyphenyl)-1-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxybutan-2-yl] butanoate Traditional Name: butyric acid [1-[[hydroxy-[2-(methylamino)ethoxy]phosphino]oxymethyl]-3-(3-lauryloxyphenyl)propyl] ester Formula: C29H52NO6P MolecularWeight: 541.700041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52NO6P/c1-4-6-7-8-9-10-11-12-13-14-22-33-27-18-15-17-26(24-27)19-20-28(36-29(31)16-5-2)25-35-37(32)34-23-21-30-3/h15,17-18,24,28,30,32H,4-14,16,19-23,25H2,1-3H3