4-methylbenzenesulfonate; triethyl-(3-oxidanylidene-1H-2-benzofuran-1-yl)azanium

Systemtic Name: 4-methylbenzenesulfonate; triethyl-(3-oxidanylidene-1H-2-benzofuran-1-yl)azanium Openeye Name: 4-methylbenzenesulfonate; triethyl-(3-oxo-1H-isobenzofuran-1-yl)ammonium CAS Name: 4-methylbenzenesulfonate; triethyl-(3-oxo-1H-isobenzofuran-1-yl)ammonium IUPAC Name: 4-methylbenzenesulfonate; triethyl-(3-oxo-1H-2-benzofuran-1-yl)azanium Traditional Name: triethyl(phthalidyl)ammonium tosylate Formula: C21H27NO5S MolecularWeight: 405.50778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)C1C2=CC=CC=C2C(=O)O1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+](CC)(CC)C1C2=CC=CC=C2C(=O)O1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C14H20NO2.C7H8O3S/c1-4-15(5-2,6-3)13-11-9-7-8-10-12(11)14(16)17-13;1-6-2-4-7(5-3-6)11(8,9)10/h7-10,13H,4-6H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1