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

Systemtic Name: (3-chlorophenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-chlorophenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-chlorophenyl) [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-chlorophenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-chlorophenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C16H14ClNO4PS+ MolecularWeight: 382.778421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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