4-[[3-(4-dodecoxyphenyl)-2-methanoyloxy-propoxy]-oxidanyl-phosphanyl]oxybutyl-methyl-azanium

Systemtic Name: 4-[[3-(4-dodecoxyphenyl)-2-methanoyloxy-propoxy]-oxidanyl-phosphanyl]oxybutyl-methyl-azanium Openeye Name: 4-[[3-(4-dodecoxyphenyl)-2-formyloxy-propoxy]-hydroxy-phosphanyl]oxybutyl-methyl-ammonium CAS Name: 4-[[3-(4-dodecoxyphenyl)-2-formyloxypropoxy]-hydroxyphosphino]oxybutyl-methylammonium IUPAC Name: 4-[[3-(4-dodecoxyphenyl)-2-formyloxypropoxy]-hydroxyphosphanyl]oxybutyl-methylazanium Traditional Name: 4-[[2-formyloxy-3-(4-lauryloxyphenyl)propoxy]-hydroxy-phosphino]oxybutyl-methyl-ammonium Formula: C27H49NO6P+ MolecularWeight: 514.654821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48NO6P/c1-3-4-5-6-7-8-9-10-11-13-20-31-26-17-15-25(16-18-26)22-27(32-24-29)23-34-35(30)33-21-14-12-19-28-2/h15-18,24,27-28,30H,3-14,19-23H2,1-2H3/p+1