3-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxypropyl-methyl-azanium

Systemtic Name: 3-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxypropyl-methyl-azanium Openeye Name: 3-[[2-[(4-dodecoxyphenyl)methyl]-4-oxo-hexoxy]-hydroxy-phosphoryl]oxypropyl-methyl-ammonium CAS Name: 3-[[2-[(4-dodecoxyphenyl)methyl]-4-oxohexoxy]-hydroxyphosphoryl]oxypropyl-methylammonium IUPAC Name: 3-[[2-[(4-dodecoxyphenyl)methyl]-4-oxohexoxy]-hydroxyphosphoryl]oxypropyl-methylazanium Traditional Name: 3-[hydroxy-[4-keto-2-(4-lauryloxybenzyl)hexoxy]phosphoryl]oxypropyl-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)CC)COP(=O)(O)OCCC[NH2+]C

Isomeric SMILES

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

InChI

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