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

Systemtic Name: (2-chlorophenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-chlorophenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-chlorophenyl) [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-chlorophenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (2-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=C(C(=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3)Cl

Isomeric SMILES

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

InChI

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