diethyl (2-isothiocyanato-1,3-dihydroisophosphindol-2-ium-2-yl) phosphate

Systemtic Name: diethyl (2-isothiocyanato-1,3-dihydroisophosphindol-2-ium-2-yl) phosphate Openeye Name: diethyl (2-isothiocyanatoisophosphindolin-2-ium-2-yl) phosphate CAS Name: phosphoric acid diethyl (2-isothiocyanato-1,3-dihydroisophosphindol-2-ium-2-yl) ester IUPAC Name: diethyl (2-isothiocyanato-1,3-dihydroisophosphindol-2-ium-2-yl) phosphate Traditional Name: phosphoric acid diethyl (2-isothiocyanatoisophosphindolin-2-ium-2-yl) ester Formula: C13H18NO4P2S+ MolecularWeight: 346.298842

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)O[P+]1(CC2=CC=CC=C2C1)N=C=S

Isomeric SMILES

CCOP(=O)(OCC)O[P+]1(CC2=CC=CC=C2C1)N=C=S

InChI

InChI=1S/C13H18NO4P2S/c1-3-16-20(15,17-4-2)18-19(14-11-21)9-12-7-5-6-8-13(12)10-19/h5-8H,3-4,9-10H2,1-2H3/q+1