(4-hexadecoxy-3-methoxy-butyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinate

Systemtic Name: (4-hexadecoxy-3-methoxy-butyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinate Openeye Name: (4-hexadecoxy-3-methoxy-butyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinate CAS Name: (4-hexadecoxy-3-methoxybutyl)-[2-(1-pyridin-1-iumyl)ethoxy]phosphinate IUPAC Name: (4-hexadecoxy-3-methoxybutyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinate Traditional Name: (4-cetyloxy-3-methoxy-butyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinate Formula: C28H52NO5P MolecularWeight: 513.689941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CCP(=O)([O-])OCC[N+]1=CC=CC=C1)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CCP(=O)([O-])OCC[N+]1=CC=CC=C1)OC

InChI

InChI=1S/C28H52NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-33-27-28(32-2)20-26-35(30,31)34-25-23-29-21-17-16-18-22-29/h16-18,21-22,28H,3-15,19-20,23-27H2,1-2H3