(3-methoxy-4-octadecoxy-butyl)-pyridin-1-ium-1-yloxy-phosphinic acid

Systemtic Name: (3-methoxy-4-octadecoxy-butyl)-pyridin-1-ium-1-yloxy-phosphinic acid Openeye Name: (3-methoxy-4-octadecoxy-butyl)-pyridin-1-ium-1-yloxy-phosphinic acid CAS Name: (3-methoxy-4-octadecoxybutyl)-(1-pyridin-1-iumyloxy)phosphinic acid IUPAC Name: (3-methoxy-4-octadecoxybutyl)-pyridin-1-ium-1-yloxyphosphinic acid Traditional Name: (3-methoxy-4-stearyloxy-butyl)-pyridin-1-ium-1-yloxy-phosphinic acid Formula: C28H53NO5P+ MolecularWeight: 514.697881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CCP(=O)(O)O[N+]1=CC=CC=C1)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CCP(=O)(O)O[N+]1=CC=CC=C1)OC

InChI

InChI=1S/C28H52NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-33-27-28(32-2)22-26-35(30,31)34-29-23-19-18-20-24-29/h18-20,23-24,28H,3-17,21-22,25-27H2,1-2H3/p+1