(4-chlorophenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] phosphate

Systemtic Name: (4-chlorophenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] phosphate Openeye Name: (4-chlorophenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] phosphate CAS Name: (4-chlorophenyl) [3-(3-thiazol-3-iumylmethyl)phenyl] phosphate IUPAC Name: (4-chlorophenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] phosphate Traditional Name: (4-chlorophenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] phosphate Formula: C16H13ClNO4PS MolecularWeight: 381.770481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClNO4PS/c17-14-4-6-15(7-5-14)21-23(19,20)22-16-3-1-2-13(10-16)11-18-8-9-24-12-18/h1-10,12H,11H2