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2-[oxidanyl-[2-(undecanoylamino)octoxy]phosphoryl]oxyethyl-(phenylmethyl)azanium

2-[oxidanyl-[2-(undecanoylamino)octoxy]phosphoryl]oxyethyl-(phenylmethyl)azanium

Systemtic Name:2-[oxidanyl-[2-(undecanoylamino)octoxy]phosphoryl]oxyethyl-(phenylmethyl)azanium
Openeye Name:benzyl-[2-[hydroxy-[2-(undecanoylamino)octoxy]phosphoryl]oxyethyl]ammonium
CAS Name:2-[hydroxy-[2-(1-oxoundecylamino)octoxy]phosphoryl]oxyethyl-(phenylmethyl)ammonium
IUPAC Name:benzyl-[2-[hydroxy-[2-(undecanoylamino)octoxy]phosphoryl]oxyethyl]azanium
Traditional Name:benzyl-[2-[hydroxy-[2-(undecanoylamino)octoxy]phosphoryl]oxyethyl]ammonium
Formula: C28H52N2O5P+
MolecularWeight: 527.696641
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)NC(CCCCCC)COP(=O)(O)OCC[NH2+]CC1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCC(=O)NC(CCCCCC)COP(=O)(O)OCC[NH2+]CC1=CC=CC=C1


InChI

InChI=1S/C28H51N2O5P/c1-3-5-7-9-10-11-12-17-21-28(31)30-27(20-16-8-6-4-2)25-35-36(32,33)34-23-22-29-24-26-18-14-13-15-19-26/h13-15,18-19,27,29H,3-12,16-17,20-25H2,1-2H3,(H,30,31)(H,32,33)/p+1


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