6-dipropoxyphosphinothioyloxy-2-(4-nitrophenyl)pyridazin-3-one

Systemtic Name: 6-dipropoxyphosphinothioyloxy-2-(4-nitrophenyl)pyridazin-3-one Openeye Name: 6-dipropoxyphosphinothioyloxy-2-(4-nitrophenyl)pyridazin-3-one CAS Name: 6-dipropoxyphosphinothioyloxy-2-(4-nitrophenyl)-3-pyridazinone IUPAC Name: 6-dipropoxyphosphinothioyloxy-2-(4-nitrophenyl)pyridazin-3-one Traditional Name: 6-dipropoxythiophosphoryloxy-2-(4-nitrophenyl)pyridazin-3-one Formula: C16H20N3O6PS MolecularWeight: 413.385261

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Descriptors Computed from Structure

Canonical SMILES:

CCCOP(=S)(OCCC)OC1=NN(C(=O)C=C1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCOP(=S)(OCCC)OC1=NN(C(=O)C=C1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N3O6PS/c1-3-11-23-26(27,24-12-4-2)25-15-9-10-16(20)18(17-15)13-5-7-14(8-6-13)19(21)22/h5-10H,3-4,11-12H2,1-2H3