2-[[2-[3-(4-dodecoxyphenyl)propyl]-4-oxidanylidene-pentoxy]-oxidanyl-phosphoryl]oxyethyl-methyl-azanium

Systemtic Name: 2-[[2-[3-(4-dodecoxyphenyl)propyl]-4-oxidanylidene-pentoxy]-oxidanyl-phosphoryl]oxyethyl-methyl-azanium Openeye Name: 2-[[2-[3-(4-dodecoxyphenyl)propyl]-4-oxo-pentoxy]-hydroxy-phosphoryl]oxyethyl-methyl-ammonium CAS Name: 2-[[2-[3-(4-dodecoxyphenyl)propyl]-4-oxopentoxy]-hydroxyphosphoryl]oxyethyl-methylammonium IUPAC Name: 2-[[2-[3-(4-dodecoxyphenyl)propyl]-4-oxopentoxy]-hydroxyphosphoryl]oxyethyl-methylazanium Traditional Name: 2-[hydroxy-[4-keto-2-[3-(4-lauryloxyphenyl)propyl]pentoxy]phosphoryl]oxyethyl-methyl-ammonium Formula: C29H53NO6P+ MolecularWeight: 542.707981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52NO6P/c1-4-5-6-7-8-9-10-11-12-13-22-34-29-19-17-27(18-20-29)15-14-16-28(24-26(2)31)25-36-37(32,33)35-23-21-30-3/h17-20,28,30H,4-16,21-25H2,1-3H3,(H,32,33)/p+1