2-bis(oxidanidyl)phosphinothioyloxy-2,4-diethyl-isoindol-2-ium-1,3-dione

Systemtic Name: 2-bis(oxidanidyl)phosphinothioyloxy-2,4-diethyl-isoindol-2-ium-1,3-dione Openeye Name: 2-dioxidophosphinothioyloxy-2,4-diethyl-isoindolin-2-ium-1,3-dione CAS Name: 2-dioxidophosphinothioyloxy-2,4-diethylisoindol-2-ium-1,3-dione IUPAC Name: 2-dioxidophosphinothioyloxy-2,4-diethylisoindol-2-ium-1,3-dione Traditional Name: 2-dioxidothiophosphoryloxy-2,4-diethyl-isoindolin-2-ium-1,3-quinone Formula: C12H13NO5PS- MolecularWeight: 314.274081

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1C(=O)[N+](C2=O)(CC)OP(=S)([O-])[O-]

Isomeric SMILES

CCC1=CC=CC2=C1C(=O)[N+](C2=O)(CC)OP(=S)([O-])[O-]

InChI

InChI=1S/C12H14NO5PS/c1-3-8-6-5-7-9-10(8)12(15)13(4-2,11(9)14)18-19(16,17)20/h5-7H,3-4H2,1-2H3,(H-,16,17,20)/p-1