(3-hexadecoxy-2-methoxy-propyl) [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] phosphate

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl) [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] phosphate Openeye Name: (3-hexadecoxy-2-methoxy-propyl) [2-(thiazol-3-ium-3-ylmethyl)phenyl] phosphate CAS Name: (3-hexadecoxy-2-methoxypropyl) [2-(3-thiazol-3-iumylmethyl)phenyl] phosphate IUPAC Name: (3-hexadecoxy-2-methoxypropyl) [2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] phosphate Traditional Name: (3-cetyloxy-2-methoxy-propyl) [2-(thiazol-3-ium-3-ylmethyl)phenyl] phosphate Formula: C30H50NO6PS MolecularWeight: 583.759861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC1=CC=CC=C1C[N+]2=CSC=C2)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC1=CC=CC=C1C[N+]2=CSC=C2)OC

InChI

InChI=1S/C30H50NO6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-35-25-29(34-2)26-36-38(32,33)37-30-20-17-16-19-28(30)24-31-21-23-39-27-31/h16-17,19-21,23,27,29H,3-15,18,22,24-26H2,1-2H3