(4-hexadecoxy-3-methoxy-butyl)-[2-(1,3-thiazol-3-ium-3-yl)ethoxy]phosphinic acid

Systemtic Name: (4-hexadecoxy-3-methoxy-butyl)-[2-(1,3-thiazol-3-ium-3-yl)ethoxy]phosphinic acid Openeye Name: (4-hexadecoxy-3-methoxy-butyl)-(2-thiazol-3-ium-3-ylethoxy)phosphinic acid CAS Name: (4-hexadecoxy-3-methoxybutyl)-[2-(3-thiazol-3-iumyl)ethoxy]phosphinic acid IUPAC Name: (4-hexadecoxy-3-methoxybutyl)-[2-(1,3-thiazol-3-ium-3-yl)ethoxy]phosphinic acid Traditional Name: (4-cetyloxy-3-methoxy-butyl)-(2-thiazol-3-ium-3-ylethoxy)phosphinic acid Formula: C26H51NO5PS+ MolecularWeight: 520.725601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H50NO5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31-24-26(30-2)17-22-33(28,29)32-21-18-27-19-23-34-25-27/h19,23,25-26H,3-18,20-22,24H2,1-2H3/p+1