(2-ethanoyl-4-tetradecyl-phenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] phosphate

Systemtic Name: (2-ethanoyl-4-tetradecyl-phenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] phosphate Openeye Name: (2-acetyl-4-tetradecyl-phenyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] phosphate CAS Name: (2-acetyl-4-tetradecylphenyl) [3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl] phosphate IUPAC Name: (2-acetyl-4-tetradecylphenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] phosphate Traditional Name: (2-acetyl-4-myristyl-phenyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] phosphate Formula: C33H46NO5PS MolecularWeight: 599.760801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=CC(=C(C=C1)OP(=O)([O-])OC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCC1=CC(=C(C=C1)OP(=O)([O-])OC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(=O)C

InChI

InChI=1S/C33H46NO5PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-29-20-21-33(32(23-29)28(3)35)39-40(36,37)38-31-19-16-18-30(22-31)25-34-24-27(2)41-26-34/h16,18-24,26H,4-15,17,25H2,1-3H3