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

Systemtic Name: ethoxy-[2-[1-(hydroxymethyl)-6-oxidanylidene-pyridazin-3-yl]-3-sulfanylidene-cyclohexa-1,5-dien-1-yl]phosphinic acid Openeye Name: ethoxy-[2-[1-(hydroxymethyl)-6-oxo-pyridazin-3-yl]-3-thioxo-cyclohexa-1,5-dien-1-yl]phosphinic acid CAS Name: ethoxy-[2-[1-(hydroxymethyl)-6-oxo-3-pyridazinyl]-3-sulfanylidene-1-cyclohexa-1,5-dienyl]phosphinic acid IUPAC Name: ethoxy-[2-[1-(hydroxymethyl)-6-oxopyridazin-3-yl]-3-sulfanylidenecyclohexa-1,5-dien-1-yl]phosphinic acid Traditional Name: ethoxy-[2-(6-keto-1-methylol-pyridazin-3-yl)-3-thioxo-cyclohexa-1,5-dien-1-yl]phosphinic acid Formula: C13H15N2O5PS MolecularWeight: 342.307361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N2O5PS/c1-2-20-21(18,19)10-4-3-5-11(22)13(10)9-6-7-12(17)15(8-16)14-9/h3-4,6-7,16H,2,5,8H2,1H3,(H,18,19)