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

Systemtic Name: ethoxy-[2-[1-(3-methoxy-3-oxidanylidene-propyl)-6-oxidanylidene-pyridazin-3-yl]-3-sulfanylidene-cyclohexa-1,5-dien-1-yl]phosphinic acid Openeye Name: ethoxy-[2-[1-(3-methoxy-3-oxo-propyl)-6-oxo-pyridazin-3-yl]-3-thioxo-cyclohexa-1,5-dien-1-yl]phosphinic acid CAS Name: ethoxy-[2-[1-(3-methoxy-3-oxopropyl)-6-oxo-3-pyridazinyl]-3-sulfanylidene-1-cyclohexa-1,5-dienyl]phosphinic acid IUPAC Name: ethoxy-[2-[1-(3-methoxy-3-oxopropyl)-6-oxopyridazin-3-yl]-3-sulfanylidenecyclohexa-1,5-dien-1-yl]phosphinic acid Traditional Name: ethoxy-[2-[6-keto-1-(3-keto-3-methoxy-propyl)pyridazin-3-yl]-3-thioxo-cyclohexa-1,5-dien-1-yl]phosphinic acid Formula: C16H19N2O6PS MolecularWeight: 398.370621

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)CCC(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C16H19N2O6PS/c1-3-24-25(21,22)12-5-4-6-13(26)16(12)11-7-8-14(19)18(17-11)10-9-15(20)23-2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,21,22)