methane; 2-methylisoindole-1,3-dione; dithiophosphate

Systemtic Name: methane; 2-methylisoindole-1,3-dione; dithiophosphate Openeye Name: methane; 2-methylisoindoline-1,3-dione; dithiophosphate CAS Name: methane; 2-methylisoindole-1,3-dione; dithiophosphate IUPAC Name: methane; 2-methylisoindole-1,3-dione; dithiophosphate Traditional Name: methane; 2-methylisoindoline-1,3-quinone; dithiophosphate Formula: C11H15NO8P2S2-6 MolecularWeight: 415.316222

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Descriptors Computed from Structure

Canonical SMILES:

C.C.CN1C(=O)C2=CC=CC=C2C1=O.[O-]P(=S)([O-])[O-].[O-]P(=S)([O-])[O-]

Isomeric SMILES

C.C.CN1C(=O)C2=CC=CC=C2C1=O.[O-]P(=S)([O-])[O-].[O-]P(=S)([O-])[O-]

InChI

InChI=1S/C9H7NO2.2CH4.2H3O3PS/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;;;2*1-4(2,3)5/h2-5H,1H3;2*1H4;2*(H3,1,2,3,5)/p-6