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

Systemtic Name: (3-acetyloxy-4-hexadecoxy-butyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinate Openeye Name: (3-acetoxy-4-hexadecoxy-butyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinate CAS Name: (3-acetyloxy-4-hexadecoxybutyl)-[2-(1-pyridin-1-iumyl)ethoxy]phosphinate IUPAC Name: (3-acetyloxy-4-hexadecoxybutyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinate Traditional Name: (3-acetoxy-4-cetyloxy-butyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinate Formula: C29H52NO6P MolecularWeight: 541.700041

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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