2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxyethyl-dimethyl-azanium

Systemtic Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxyethyl-dimethyl-azanium Openeye Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxo-heptoxy]-hydroxy-phosphoryl]oxyethyl-dimethyl-ammonium CAS Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxoheptoxy]-hydroxyphosphoryl]oxyethyl-dimethylammonium IUPAC Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxoheptoxy]-hydroxyphosphoryl]oxyethyl-dimethylazanium Traditional Name: 2-[hydroxy-[4-keto-2-(4-lauryloxybenzyl)heptoxy]phosphoryl]oxyethyl-dimethyl-ammonium Formula: C30H55NO6P+ MolecularWeight: 556.734561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54NO6P/c1-5-7-8-9-10-11-12-13-14-15-22-35-30-19-17-27(18-20-30)24-28(25-29(32)16-6-2)26-37-38(33,34)36-23-21-31(3)4/h17-20,28H,5-16,21-26H2,1-4H3,(H,33,34)/p+1