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

Systemtic Name: 3-[[2-acetyloxy-3-(3-tridecoxyphenyl)propoxy]-oxidanyl-phosphanyl]oxypropyl-methyl-azanium Openeye Name: 3-[[2-acetoxy-3-(3-tridecoxyphenyl)propoxy]-hydroxy-phosphanyl]oxypropyl-methyl-ammonium CAS Name: 3-[[2-acetyloxy-3-(3-tridecoxyphenyl)propoxy]-hydroxyphosphino]oxypropyl-methylammonium IUPAC Name: 3-[[2-acetyloxy-3-(3-tridecoxyphenyl)propoxy]-hydroxyphosphanyl]oxypropyl-methylazanium Traditional Name: 3-[[2-acetoxy-3-(3-tridecoxyphenyl)propoxy]-hydroxy-phosphino]oxypropyl-methyl-ammonium Formula: C28H51NO6P+ MolecularWeight: 528.681401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H50NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-20-32-27-18-15-17-26(22-27)23-28(35-25(2)30)24-34-36(31)33-21-16-19-29-3/h15,17-18,22,28-29,31H,4-14,16,19-21,23-24H2,1-3H3/p+1