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

Systemtic Name: 2-[[2-[3-(4-dodecoxyphenyl)propyl]-4-oxidanylidene-pentoxy]-oxidanyl-phosphoryl]oxyethyl-dimethyl-azanium Openeye Name: 2-[[2-[3-(4-dodecoxyphenyl)propyl]-4-oxo-pentoxy]-hydroxy-phosphoryl]oxyethyl-dimethyl-ammonium CAS Name: 2-[[2-[3-(4-dodecoxyphenyl)propyl]-4-oxopentoxy]-hydroxyphosphoryl]oxyethyl-dimethylammonium IUPAC Name: 2-[[2-[3-(4-dodecoxyphenyl)propyl]-4-oxopentoxy]-hydroxyphosphoryl]oxyethyl-dimethylazanium Traditional Name: 2-[hydroxy-[4-keto-2-[3-(4-lauryloxyphenyl)propyl]pentoxy]phosphoryl]oxyethyl-dimethyl-ammonium Formula: C30H55NO6P+ MolecularWeight: 556.734561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54NO6P/c1-5-6-7-8-9-10-11-12-13-14-23-35-30-20-18-28(19-21-30)16-15-17-29(25-27(2)32)26-37-38(33,34)36-24-22-31(3)4/h18-21,29H,5-17,22-26H2,1-4H3,(H,33,34)/p+1