(3-hexadecoxyphenyl) 2-(1,3-thiazol-3-ium-3-yl)ethyl phosphate

Systemtic Name: (3-hexadecoxyphenyl) 2-(1,3-thiazol-3-ium-3-yl)ethyl phosphate Openeye Name: (3-hexadecoxyphenyl) 2-thiazol-3-ium-3-ylethyl phosphate CAS Name: (3-hexadecoxyphenyl) 2-(3-thiazol-3-iumyl)ethyl phosphate IUPAC Name: (3-hexadecoxyphenyl) 2-(1,3-thiazol-3-ium-3-yl)ethyl phosphate Traditional Name: (3-cetyloxyphenyl) 2-thiazol-3-ium-3-ylethyl phosphate Formula: C27H44NO5PS MolecularWeight: 525.680721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=CC=C1)OP(=O)([O-])OCC[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=CC=C1)OP(=O)([O-])OCC[N+]2=CSC=C2

InChI

InChI=1S/C27H44NO5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-31-26-17-16-18-27(24-26)33-34(29,30)32-22-19-28-20-23-35-25-28/h16-18,20,23-25H,2-15,19,21-22H2,1H3