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

Systemtic Name: 4-[[2-methanoyloxy-3-(3-tridecoxyphenyl)propoxy]-oxidanyl-phosphanyl]oxybutyl-methyl-azanium Openeye Name: 4-[[2-formyloxy-3-(3-tridecoxyphenyl)propoxy]-hydroxy-phosphanyl]oxybutyl-methyl-ammonium CAS Name: 4-[[2-formyloxy-3-(3-tridecoxyphenyl)propoxy]-hydroxyphosphino]oxybutyl-methylammonium IUPAC Name: 4-[[2-formyloxy-3-(3-tridecoxyphenyl)propoxy]-hydroxyphosphanyl]oxybutyl-methylazanium Traditional Name: 4-[[2-formyloxy-3-(3-tridecoxyphenyl)propoxy]-hydroxy-phosphino]oxybutyl-methyl-ammonium Formula: C28H51NO6P+ MolecularWeight: 528.681401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H50NO6P/c1-3-4-5-6-7-8-9-10-11-12-14-20-32-27-18-16-17-26(22-27)23-28(33-25-30)24-35-36(31)34-21-15-13-19-29-2/h16-18,22,25,28-29,31H,3-15,19-21,23-24H2,1-2H3/p+1