ethoxy-[2-(1-methyl-6-oxidanylidene-pyridazin-3-yl)-3-sulfanylidene-cyclohexa-1,5-dien-1-yl]phosphinic acid

Systemtic Name: ethoxy-[2-(1-methyl-6-oxidanylidene-pyridazin-3-yl)-3-sulfanylidene-cyclohexa-1,5-dien-1-yl]phosphinic acid Openeye Name: ethoxy-[2-(1-methyl-6-oxo-pyridazin-3-yl)-3-thioxo-cyclohexa-1,5-dien-1-yl]phosphinic acid CAS Name: ethoxy-[2-(1-methyl-6-oxo-3-pyridazinyl)-3-sulfanylidene-1-cyclohexa-1,5-dienyl]phosphinic acid IUPAC Name: ethoxy-[2-(1-methyl-6-oxopyridazin-3-yl)-3-sulfanylidenecyclohexa-1,5-dien-1-yl]phosphinic acid Traditional Name: ethoxy-[2-(6-keto-1-methyl-pyridazin-3-yl)-3-thioxo-cyclohexa-1,5-dien-1-yl]phosphinic acid Formula: C13H15N2O4PS MolecularWeight: 326.307961

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(C(=S)CC=C1)C2=NN(C(=O)C=C2)C)O

Isomeric SMILES

CCOP(=O)(C1=C(C(=S)CC=C1)C2=NN(C(=O)C=C2)C)O

InChI

InChI=1S/C13H15N2O4PS/c1-3-19-20(17,18)10-5-4-6-11(21)13(10)9-7-8-12(16)15(2)14-9/h4-5,7-8H,3,6H2,1-2H3,(H,17,18)