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

Systemtic Name: (2-methoxy-3-tetradecoxy-phenyl) [3-[[2-(2-methylpropyl)-1,3-thiazol-3-ium-3-yl]methyl]phenyl] phosphate Openeye Name: [3-[(2-isobutylthiazol-3-ium-3-yl)methyl]phenyl] (2-methoxy-3-tetradecoxy-phenyl) phosphate CAS Name: (2-methoxy-3-tetradecoxyphenyl) [3-[[2-(2-methylpropyl)-3-thiazol-3-iumyl]methyl]phenyl] phosphate IUPAC Name: (2-methoxy-3-tetradecoxyphenyl) [3-[[2-(2-methylpropyl)-1,3-thiazol-3-ium-3-yl]methyl]phenyl] phosphate Traditional Name: [3-[(2-isobutylthiazol-3-ium-3-yl)methyl]phenyl] (2-methoxy-3-myristyloxy-phenyl) phosphate Formula: C35H52NO6PS MolecularWeight: 645.829241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)([O-])OC2=CC=CC(=C2)C[N+]3=C(SC=C3)CC(C)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)([O-])OC2=CC=CC(=C2)C[N+]3=C(SC=C3)CC(C)C)OC

InChI

InChI=1S/C35H52NO6PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-24-40-32-21-18-22-33(35(32)39-4)42-43(37,38)41-31-20-17-19-30(27-31)28-36-23-25-44-34(36)26-29(2)3/h17-23,25,27,29H,5-16,24,26,28H2,1-4H3