(3-acetyloxy-4-hexadecoxy-butyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinic acid

Systemtic Name: (3-acetyloxy-4-hexadecoxy-butyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinic acid Openeye Name: (3-acetoxy-4-hexadecoxy-butyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinic acid CAS Name: (3-acetyloxy-4-hexadecoxybutyl)-[2-(1-pyridin-1-iumyl)ethoxy]phosphinic acid IUPAC Name: (3-acetyloxy-4-hexadecoxybutyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinic acid Traditional Name: (3-acetoxy-4-cetyloxy-butyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinic acid Formula: C29H53NO6P+ MolecularWeight: 542.707981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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