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

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl) [3-[[2-(2-methylpropyl)-1,3-thiazol-3-ium-3-yl]methyl]phenyl] phosphate Openeye Name: (3-hexadecoxy-2-methoxy-propyl) [3-[(2-isobutylthiazol-3-ium-3-yl)methyl]phenyl] phosphate CAS Name: (3-hexadecoxy-2-methoxypropyl) [3-[[2-(2-methylpropyl)-3-thiazol-3-iumyl]methyl]phenyl] phosphate IUPAC Name: (3-hexadecoxy-2-methoxypropyl) [3-[[2-(2-methylpropyl)-1,3-thiazol-3-ium-3-yl]methyl]phenyl] phosphate Traditional Name: (3-cetyloxy-2-methoxy-propyl) [3-[(2-isobutylthiazol-3-ium-3-yl)methyl]phenyl] phosphate Formula: C34H58NO6PS MolecularWeight: 639.866181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC1=CC=CC(=C1)C[N+]2=C(SC=C2)CC(C)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC1=CC=CC(=C1)C[N+]2=C(SC=C2)CC(C)C)OC

InChI

InChI=1S/C34H58NO6PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-39-28-33(38-4)29-40-42(36,37)41-32-21-19-20-31(26-32)27-35-22-24-43-34(35)25-30(2)3/h19-22,24,26,30,33H,5-18,23,25,27-29H2,1-4H3