(3-acetyloxy-4-hexadecoxy-butyl)-[2-(1,3-thiazol-3-ium-3-yl)ethoxy]phosphinate

Systemtic Name: (3-acetyloxy-4-hexadecoxy-butyl)-[2-(1,3-thiazol-3-ium-3-yl)ethoxy]phosphinate Openeye Name: (3-acetoxy-4-hexadecoxy-butyl)-(2-thiazol-3-ium-3-ylethoxy)phosphinate CAS Name: (3-acetyloxy-4-hexadecoxybutyl)-[2-(3-thiazol-3-iumyl)ethoxy]phosphinate IUPAC Name: (3-acetyloxy-4-hexadecoxybutyl)-[2-(1,3-thiazol-3-ium-3-yl)ethoxy]phosphinate Traditional Name: (3-acetoxy-4-cetyloxy-butyl)-(2-thiazol-3-ium-3-ylethoxy)phosphinate Formula: C27H50NO6PS MolecularWeight: 547.727761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50NO6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-32-24-27(34-26(2)29)17-22-35(30,31)33-21-18-28-19-23-36-25-28/h19,23,25,27H,3-18,20-22,24H2,1-2H3