ethane; 2-ethylisoindole-1,3-dione; thiophosphate

Systemtic Name: ethane; 2-ethylisoindole-1,3-dione; thiophosphate Openeye Name: ethane; 2-ethylisoindoline-1,3-dione; thiophosphate CAS Name: ethane; 2-ethylisoindole-1,3-dione; thiophosphate IUPAC Name: ethane; 2-ethylisoindole-1,3-dione; thiophosphate Traditional Name: ethane; 2-ethylisoindoline-1,3-quinone; thiophosphate Formula: C12H15NO5PS-3 MolecularWeight: 316.289961

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Descriptors Computed from Structure

Canonical SMILES:

CC.CCN1C(=O)C2=CC=CC=C2C1=O.[O-]P(=S)([O-])[O-]

Isomeric SMILES

CC.CCN1C(=O)C2=CC=CC=C2C1=O.[O-]P(=S)([O-])[O-]

InChI

InChI=1S/C10H9NO2.C2H6.H3O3PS/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13;1-2;1-4(2,3)5/h3-6H,2H2,1H3;1-2H3;(H3,1,2,3,5)/p-3