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

Systemtic Name: (2-ethanoyl-3-tetradecoxy-phenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] phosphate Openeye Name: (2-acetyl-3-tetradecoxy-phenyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] phosphate CAS Name: (2-acetyl-3-tetradecoxyphenyl) [3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl] phosphate IUPAC Name: (2-acetyl-3-tetradecoxyphenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] phosphate Traditional Name: (2-acetyl-3-myristyloxy-phenyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] phosphate Formula: C33H46NO6PS MolecularWeight: 615.760201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H46NO6PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-38-31-20-17-21-32(33(31)28(3)35)40-41(36,37)39-30-19-16-18-29(23-30)25-34-24-27(2)42-26-34/h16-21,23-24,26H,4-15,22,25H2,1-3H3