2-[[4-(3-dodecoxyphenyl)-2-propanoyloxy-butoxy]-oxidanyl-phosphanyl]oxyethyl-methyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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