3-[(2-diethoxyphosphinothioyloxypyridin-3-yl)methyl]-2,6-dimethyl-benzoic acid

Systemtic Name: 3-[(2-diethoxyphosphinothioyloxypyridin-3-yl)methyl]-2,6-dimethyl-benzoic acid Openeye Name: 3-[(2-diethoxyphosphinothioyloxy-3-pyridyl)methyl]-2,6-dimethyl-benzoic acid CAS Name: 3-[(2-diethoxyphosphinothioyloxy-3-pyridinyl)methyl]-2,6-dimethylbenzoic acid IUPAC Name: 3-[(2-diethoxyphosphinothioyloxypyridin-3-yl)methyl]-2,6-dimethylbenzoic acid Traditional Name: 3-[(2-diethoxythiophosphoryloxy-3-pyridyl)methyl]-2,6-dimethyl-benzoic acid Formula: C19H24NO5PS MolecularWeight: 409.436321

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)OC1=C(C=CC=N1)CC2=C(C(=C(C=C2)C)C(=O)O)C

Isomeric SMILES

CCOP(=S)(OCC)OC1=C(C=CC=N1)CC2=C(C(=C(C=C2)C)C(=O)O)C

InChI

InChI=1S/C19H24NO5PS/c1-5-23-26(27,24-6-2)25-18-16(8-7-11-20-18)12-15-10-9-13(3)17(14(15)4)19(21)22/h7-11H,5-6,12H2,1-4H3,(H,21,22)