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

Systemtic Name: (2-ethyl-4-tetradecyl-phenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] phosphate Openeye Name: (2-ethyl-4-tetradecyl-phenyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] phosphate CAS Name: (2-ethyl-4-tetradecylphenyl) [3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl] phosphate IUPAC Name: (2-ethyl-4-tetradecylphenyl) [3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] phosphate Traditional Name: (2-ethyl-4-myristyl-phenyl) [3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] phosphate Formula: C33H48NO4PS MolecularWeight: 585.777281

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C33H48NO4PS/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-29-21-22-33(31(5-2)23-29)38-39(35,36)37-32-20-17-19-30(24-32)26-34-25-28(3)40-27-34/h17,19-25,27H,4-16,18,26H2,1-3H3