(2-isothiocyanato-1,3-dihydroisophosphindol-2-ium-2-yl) ethanoate

Systemtic Name: (2-isothiocyanato-1,3-dihydroisophosphindol-2-ium-2-yl) ethanoate Openeye Name: (2-isothiocyanatoisophosphindolin-2-ium-2-yl) acetate CAS Name: acetic acid (2-isothiocyanato-1,3-dihydroisophosphindol-2-ium-2-yl) ester IUPAC Name: (2-isothiocyanato-1,3-dihydroisophosphindol-2-ium-2-yl) acetate Traditional Name: acetic acid (2-isothiocyanatoisophosphindolin-2-ium-2-yl) ester Formula: C11H11NO2PS+ MolecularWeight: 252.249301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO2PS/c1-9(13)14-15(12-8-16)6-10-4-2-3-5-11(10)7-15/h2-5H,6-7H2,1H3/q+1