2-(diethoxyphosphorylsulfanylmethyl)isoindole-1,3-dione

Systemtic Name: 2-(diethoxyphosphorylsulfanylmethyl)isoindole-1,3-dione Openeye Name: 2-(diethoxyphosphorylsulfanylmethyl)isoindoline-1,3-dione CAS Name: 2-[(diethoxyphosphorylthio)methyl]isoindole-1,3-dione IUPAC Name: 2-(diethoxyphosphorylsulfanylmethyl)isoindole-1,3-dione Traditional Name: 2-[(diethoxyphosphorylthio)methyl]isoindoline-1,3-quinone Formula: C13H16NO5PS MolecularWeight: 329.308601

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)SCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCOP(=O)(OCC)SCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C13H16NO5PS/c1-3-18-20(17,19-4-2)21-9-14-12(15)10-7-5-6-8-11(10)13(14)16/h5-8H,3-4,9H2,1-2H3