(2,2-dimethyl-3H-1-benzofuran-7-yl) 2-cyanobenzenesulfonate

Systemtic Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 2-cyanobenzenesulfonate Openeye Name: (2,2-dimethyl-3H-benzofuran-7-yl) 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid (2,2-dimethyl-3H-benzofuran-7-yl) ester IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid (2,2-dimethylcoumaran-7-yl) ester Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OS(=O)(=O)C3=CC=CC=C3C#N)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OS(=O)(=O)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C17H15NO4S/c1-17(2)10-12-7-5-8-14(16(12)21-17)22-23(19,20)15-9-4-3-6-13(15)11-18/h3-9H,10H2,1-2H3