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

Systemtic Name: ethoxy-[2-(6-oxidanylidene-1H-pyridazin-3-yl)-3-sulfanylidene-cyclohexa-1,5-dien-1-yl]phosphinic acid Openeye Name: ethoxy-[2-(6-oxo-1H-pyridazin-3-yl)-3-thioxo-cyclohexa-1,5-dien-1-yl]phosphinic acid CAS Name: ethoxy-[2-(6-oxo-1H-pyridazin-3-yl)-3-sulfanylidene-1-cyclohexa-1,5-dienyl]phosphinic acid IUPAC Name: ethoxy-[2-(6-oxo-1H-pyridazin-3-yl)-3-sulfanylidenecyclohexa-1,5-dien-1-yl]phosphinic acid Traditional Name: ethoxy-[2-(6-keto-1H-pyridazin-3-yl)-3-thioxo-cyclohexa-1,5-dien-1-yl]phosphinic acid Formula: C12H13N2O4PS MolecularWeight: 312.281381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N2O4PS/c1-2-18-19(16,17)9-4-3-5-10(20)12(9)8-6-7-11(15)14-13-8/h3-4,6-7H,2,5H2,1H3,(H,14,15)(H,16,17)