[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] [2-(phenylcarbonyl)-5-tetradecoxy-phenyl] phosphate

Systemtic Name: [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] [2-(phenylcarbonyl)-5-tetradecoxy-phenyl] phosphate Openeye Name: (2-benzoyl-5-tetradecoxy-phenyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] phosphate CAS Name: (2-benzoyl-5-tetradecoxyphenyl) [3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl] phosphate IUPAC Name: (2-benzoyl-5-tetradecoxyphenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] phosphate Traditional Name: (2-benzoyl-5-myristyloxy-phenyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] phosphate Formula: C38H48NO6PS MolecularWeight: 677.829581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OP(=O)([O-])OC3=CC=CC(=C3)C[N+]4=CSC(=C4)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OP(=O)([O-])OC3=CC=CC(=C3)C[N+]4=CSC(=C4)C

InChI

InChI=1S/C38H48NO6PS/c1-3-4-5-6-7-8-9-10-11-12-13-17-25-43-34-23-24-36(38(40)33-20-15-14-16-21-33)37(27-34)45-46(41,42)44-35-22-18-19-32(26-35)29-39-28-31(2)47-30-39/h14-16,18-24,26-28,30H,3-13,17,25,29H2,1-2H3