3-[[3-(4-dodecoxyphenyl)-2-propanoyloxy-propoxy]-oxidanyl-phosphanyl]oxypropyl-methyl-azanium

Systemtic Name: 3-[[3-(4-dodecoxyphenyl)-2-propanoyloxy-propoxy]-oxidanyl-phosphanyl]oxypropyl-methyl-azanium Openeye Name: 3-[[3-(4-dodecoxyphenyl)-2-propanoyloxy-propoxy]-hydroxy-phosphanyl]oxypropyl-methyl-ammonium CAS Name: 3-[[3-(4-dodecoxyphenyl)-2-(1-oxopropoxy)propoxy]-hydroxyphosphino]oxypropyl-methylammonium IUPAC Name: 3-[[3-(4-dodecoxyphenyl)-2-propanoyloxypropoxy]-hydroxyphosphanyl]oxypropyl-methylazanium Traditional Name: 3-[hydroxy-[3-(4-lauryloxyphenyl)-2-propionyloxy-propoxy]phosphino]oxypropyl-methyl-ammonium Formula: C28H51NO6P+ MolecularWeight: 528.681401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(COP(O)OCCC[NH2+]C)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(COP(O)OCCC[NH2+]C)OC(=O)CC

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)5-2)24-34-36(31)33-22-15-20-29-3/h16-19,27,29,31H,4-15,20-24H2,1-3H3/p+1