(2-ethyl-6-pyridazin-3-ylsulfanyl-phenyl)phosphonic acid

Systemtic Name: (2-ethyl-6-pyridazin-3-ylsulfanyl-phenyl)phosphonic acid Openeye Name: (2-ethyl-6-pyridazin-3-ylsulfanyl-phenyl)phosphonic acid CAS Name: [2-ethyl-6-(3-pyridazinylthio)phenyl]phosphonic acid IUPAC Name: (2-ethyl-6-pyridazin-3-ylsulfanylphenyl)phosphonic acid Traditional Name: [2-ethyl-6-(pyridazin-3-ylthio)phenyl]phosphonic acid Formula: C12H13N2O3PS MolecularWeight: 296.281981

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)SC2=NN=CC=C2)P(=O)(O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)SC2=NN=CC=C2)P(=O)(O)O

InChI

InChI=1S/C12H13N2O3PS/c1-2-9-5-3-6-10(12(9)18(15,16)17)19-11-7-4-8-13-14-11/h3-8H,2H2,1H3,(H2,15,16,17)