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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52NO6P/c1-4-5-6-7-8-9-10-11-12-14-21-34-29-18-16-27(17-19-29)24-28(23-26(2)31)25-36-37(32,33)35-22-15-13-20-30-3/h16-19,28,30H,4-15,20-25H2,1-3H3,(H,32,33)/p+1