[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] (3-tetradecoxyphenyl) phosphate

Systemtic Name: [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] (3-tetradecoxyphenyl) phosphate Openeye Name: [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] (3-tetradecoxyphenyl) phosphate CAS Name: [3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl] (3-tetradecoxyphenyl) phosphate IUPAC Name: [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] (3-tetradecoxyphenyl) phosphate Traditional Name: [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] (3-myristyloxyphenyl) phosphate Formula: C31H44NO5PS MolecularWeight: 573.723521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44NO5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-35-29-18-16-20-31(23-29)37-38(33,34)36-30-19-15-17-28(22-30)25-32-24-27(2)39-26-32/h15-20,22-24,26H,3-14,21,25H2,1-2H3