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

Systemtic Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-pentoxy]-oxidanyl-phosphoryl]oxyethyl-dimethyl-azanium Openeye Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxo-pentoxy]-hydroxy-phosphoryl]oxyethyl-dimethyl-ammonium CAS Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxopentoxy]-hydroxyphosphoryl]oxyethyl-dimethylammonium IUPAC Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxopentoxy]-hydroxyphosphoryl]oxyethyl-dimethylazanium Traditional Name: 2-[hydroxy-[4-keto-2-(4-lauryloxybenzyl)pentoxy]phosphoryl]oxyethyl-dimethyl-ammonium Formula: C28H51NO6P+ MolecularWeight: 528.681401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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