3-[[2-methanoyloxy-3-(3-tridecoxyphenyl)propoxy]-oxidanyl-phosphanyl]oxypropyl-methyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(COP(O)OCCC[NH2+]C)OC=O

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(COP(O)OCCC[NH2+]C)OC=O

InChI

InChI=1S/C27H48NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-19-31-26-17-14-16-25(21-26)22-27(32-24-29)23-34-35(30)33-20-15-18-28-2/h14,16-17,21,24,27-28,30H,3-13,15,18-20,22-23H2,1-2H3/p+1