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

Systemtic Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxybutyl-methyl-azanium Openeye Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxo-heptoxy]-hydroxy-phosphoryl]oxybutyl-methyl-ammonium CAS Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxoheptoxy]-hydroxyphosphoryl]oxybutyl-methylammonium IUPAC Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxoheptoxy]-hydroxyphosphoryl]oxybutyl-methylazanium Traditional Name: 4-[hydroxy-[4-keto-2-(4-lauryloxybenzyl)heptoxy]phosphoryl]oxybutyl-methyl-ammonium Formula: C31H57NO6P+ MolecularWeight: 570.761141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H56NO6P/c1-4-6-7-8-9-10-11-12-13-15-23-36-31-20-18-28(19-21-31)25-29(26-30(33)17-5-2)27-38-39(34,35)37-24-16-14-22-32-3/h18-21,29,32H,4-17,22-27H2,1-3H3,(H,34,35)/p+1